Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768108034046/bs5069sup1.cif | |
Portable Document Format (PDF) file https://doi.org/10.1107/S0108768108034046/bs5069sup2.pdf | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108034046/bs5069FeZprime8sup3.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108034046/bs5069MgZprime8sup4.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108034046/bs5069ZnZprime8sup5.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108034046/bs5069NiZprime2sup6.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108034046/bs5069CuZprime2sup7.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108034046/bs5069CoZprime0.5sup8.hkl |
CCDC references: 718175; 718176; 718177; 718178; 718179; 718180
Data collection: APEX2 (Bruker-Nonius, 2004) for FeZprime8, MgZprime8, ZnZprime8, CoZprime0.5; COLLECT (Nonius, 1999) for NiZprime2, CuZprime2. Cell refinement: Saintplus in APEX2 (Bruker-Nonius,2004) for FeZprime8, MgZprime8, ZnZprime8, CoZprime0.5; SCALEPACK (Otwinowski & Minor, 2006) for NiZprime2, CuZprime2. Data reduction: Saintplus in APEX2 (Bruker-Nonius,2004) for FeZprime8, MgZprime8, ZnZprime8, CoZprime0.5; DENZO-SMN (Otwinowski & Minor, 2006) for NiZprime2, CuZprime2. For all compounds, program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008) and local procedures.
C10H24O7Fe2+·2(NO3−) | F(000) = 7296 |
Mr = 436.16 | Dx = 1.652 Mg m−3 |
Monoclinic, B21 | Cu Kα radiation, λ = 1.54178 Å |
a = 14.507 (2) Å | Cell parameters from 9152 reflections |
b = 14.226 (2) Å | θ = 4.2–68.0° |
c = 68.390 (6) Å | µ = 7.58 mm−1 |
β = 96.23 (2)° | T = 90 K |
V = 14031 (3) Å3 | Thick rods, colorless |
Z = 32 | 0.30 × 0.15 × 0.11 mm |
Bruker-Nonius X8 Proteum diffractometer | 25223 independent reflections |
Radiation source: fine-focus rotating anode | 15621 reflections with I > 2σ(I) |
Graded multi-layer optics monochromator | Rint = 0.050 |
Detector resolution: 18 pixels mm-1 | θmax = 68.2°, θmin = 2.6° |
ω and φ scans | h = −17→17 |
Absorption correction: multi-scan SADABS in APEX2 (Bruker-Nonius, 2004) | k = −17→17 |
Tmin = 0.20, Tmax = 0.47 | l = −74→82 |
89101 measured reflections |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.043 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.125 | w = 1/[σ2(Fo2) + (0.050P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.13 | (Δ/σ)max = 0.002 |
25223 reflections | Δρmax = 0.77 e Å−3 |
892 parameters | Δρmin = −0.43 e Å−3 |
49 restraints | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.000058 (3) |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
O6_1 | 0.1775 (3) | 0.6753 (3) | 0.07905 (5) | 0.02081 (16) | |
H1W_1 | 0.176 (3) | 0.699 (2) | 0.0680 (3) | 0.025* | |
H2W_1 | 0.162 (3) | 0.717 (2) | 0.0863 (5) | 0.025* | |
O7_1 | 0.3066 (3) | 0.4320 (3) | 0.10150 (5) | 0.02090 (17) | |
H3W_1 | 0.320 (3) | 0.3775 (12) | 0.0993 (5) | 0.025* | |
H4W_1 | 0.328 (3) | 0.444 (3) | 0.1127 (3) | 0.025* | |
Fe1_1 | 0.24290 (6) | 0.55447 (6) | 0.089830 (10) | 0.01219 (7) | |
O1_1 | 0.1220 (2) | 0.5221 (3) | 0.10650 (5) | 0.01543 (15) | |
O2_1 | 0.1553 (2) | 0.4489 (3) | 0.07201 (5) | 0.01650 (15) | |
O3_1 | 0.2973 (2) | 0.5468 (3) | 0.06064 (5) | 0.01685 (16) | |
O4_1 | 0.3807 (2) | 0.6248 (3) | 0.09345 (5) | 0.01722 (15) | |
O5_1 | 0.2623 (3) | 0.6244 (3) | 0.11836 (5) | 0.02154 (16) | |
C1_1 | 0.0742 (4) | 0.4377 (4) | 0.09971 (8) | 0.0203 (2) | |
H11_1 | 0.0129 | 0.4343 | 0.1048 | 0.024* | |
H12_1 | 0.1107 | 0.3815 | 0.1043 | 0.024* | |
C2_1 | 0.0627 (4) | 0.4418 (5) | 0.07754 (8) | 0.0205 (2) | |
H21_1 | 0.0318 | 0.3843 | 0.0719 | 0.025* | |
H22_1 | 0.0253 | 0.4971 | 0.0728 | 0.025* | |
C3_1 | 0.1611 (4) | 0.4583 (5) | 0.05137 (7) | 0.0178 (2) | |
H31_1 | 0.1275 | 0.5151 | 0.0462 | 0.021* | |
H32_1 | 0.1340 | 0.4026 | 0.0442 | 0.021* | |
C4_1 | 0.2636 (4) | 0.4664 (4) | 0.04914 (8) | 0.0175 (2) | |
H41_1 | 0.2967 | 0.4088 | 0.0540 | 0.021* | |
H42_1 | 0.2731 | 0.4755 | 0.0351 | 0.021* | |
C5_1 | 0.3967 (3) | 0.5574 (5) | 0.06258 (7) | 0.0210 (2) | |
H51_1 | 0.4187 | 0.5666 | 0.0495 | 0.025* | |
H52_1 | 0.4270 | 0.5007 | 0.0687 | 0.025* | |
C6_1 | 0.4184 (4) | 0.6406 (4) | 0.07512 (8) | 0.0228 (2) | |
H61_1 | 0.4864 | 0.6496 | 0.0775 | 0.027* | |
H62_1 | 0.3906 | 0.6976 | 0.0686 | 0.027* | |
C7_1 | 0.3822 (4) | 0.7053 (4) | 0.10597 (8) | 0.0207 (2) | |
H71_1 | 0.3435 | 0.7561 | 0.0995 | 0.025* | |
H72_1 | 0.4464 | 0.7289 | 0.1089 | 0.025* | |
C8_1 | 0.3444 (4) | 0.6754 (4) | 0.12461 (8) | 0.0201 (2) | |
H81_1 | 0.3895 | 0.6351 | 0.1326 | 0.024* | |
H82_1 | 0.3302 | 0.7308 | 0.1325 | 0.024* | |
C9_1 | 0.1949 (4) | 0.6142 (4) | 0.13207 (8) | 0.0167 (2) | |
H91_1 | 0.1495 | 0.6664 | 0.1306 | 0.020* | |
H92_1 | 0.2254 | 0.6145 | 0.1457 | 0.020* | |
C10_1 | 0.1472 (4) | 0.5217 (4) | 0.12746 (7) | 0.0176 (2) | |
H101_1 | 0.1895 | 0.4687 | 0.1313 | 0.021* | |
H102_1 | 0.0914 | 0.5159 | 0.1345 | 0.021* | |
O6_2 | 0.3227 (3) | 0.4301 (3) | 0.23270 (5) | 0.02081 (16) | |
H1W_2 | 0.339 (3) | 0.388 (2) | 0.2256 (5) | 0.025* | |
H2W_2 | 0.347 (2) | 0.418 (3) | 0.2438 (2) | 0.025* | |
O7_2 | 0.1871 (3) | 0.6661 (3) | 0.20988 (5) | 0.02090 (17) | |
H3W_2 | 0.173 (3) | 0.7091 (19) | 0.2169 (4) | 0.025* | |
H4W_2 | 0.158 (3) | 0.674 (3) | 0.1991 (3) | 0.025* | |
Fe2_2 | 0.25606 (6) | 0.55152 (6) | 0.221884 (11) | 0.01219 (7) | |
O1_2 | 0.3775 (2) | 0.5848 (3) | 0.20503 (5) | 0.01543 (15) | |
O2_2 | 0.3405 (2) | 0.6562 (3) | 0.23915 (5) | 0.01650 (15) | |
O3_2 | 0.2024 (2) | 0.5587 (3) | 0.25158 (5) | 0.01685 (16) | |
O4_2 | 0.1202 (2) | 0.4751 (3) | 0.21893 (5) | 0.01722 (15) | |
O5_2 | 0.2356 (3) | 0.4827 (3) | 0.19308 (5) | 0.02154 (16) | |
C1_2 | 0.4240 (4) | 0.6694 (4) | 0.21186 (8) | 0.0203 (2) | |
H11_2 | 0.3878 | 0.7251 | 0.2069 | 0.024* | |
H12_2 | 0.4861 | 0.6727 | 0.2071 | 0.024* | |
C2_2 | 0.4329 (4) | 0.6667 (5) | 0.23384 (7) | 0.0205 (2) | |
H21_2 | 0.4722 | 0.6131 | 0.2388 | 0.025* | |
H22_2 | 0.4611 | 0.7256 | 0.2394 | 0.025* | |
C3_2 | 0.3346 (4) | 0.6479 (4) | 0.26015 (7) | 0.0178 (2) | |
H31_2 | 0.3625 | 0.7036 | 0.2672 | 0.021* | |
H32_2 | 0.3676 | 0.5909 | 0.2655 | 0.021* | |
C4_2 | 0.2342 (4) | 0.6415 (4) | 0.26240 (7) | 0.0175 (2) | |
H41_2 | 0.2243 | 0.6354 | 0.2764 | 0.021* | |
H42_2 | 0.2010 | 0.6981 | 0.2569 | 0.021* | |
C5_2 | 0.1032 (4) | 0.5457 (5) | 0.24959 (8) | 0.0210 (2) | |
H51_2 | 0.0715 | 0.6000 | 0.2427 | 0.025* | |
H52_2 | 0.0806 | 0.5389 | 0.2627 | 0.025* | |
C6_2 | 0.0849 (4) | 0.4556 (4) | 0.23748 (8) | 0.0228 (2) | |
H61_2 | 0.1177 | 0.4015 | 0.2441 | 0.027* | |
H62_2 | 0.0177 | 0.4415 | 0.2355 | 0.027* | |
C7_2 | 0.1215 (4) | 0.3924 (4) | 0.20641 (8) | 0.0207 (2) | |
H71_2 | 0.0585 | 0.3653 | 0.2038 | 0.025* | |
H72_2 | 0.1636 | 0.3439 | 0.2128 | 0.025* | |
C8_2 | 0.1558 (4) | 0.4259 (4) | 0.18748 (8) | 0.0201 (2) | |
H81_2 | 0.1724 | 0.3717 | 0.1795 | 0.024* | |
H82_2 | 0.1073 | 0.4631 | 0.1797 | 0.024* | |
C9_2 | 0.3042 (4) | 0.4896 (4) | 0.17991 (8) | 0.0167 (2) | |
H91_2 | 0.2753 | 0.4875 | 0.1661 | 0.020* | |
H92_2 | 0.3490 | 0.4371 | 0.1820 | 0.020* | |
C10_2 | 0.3516 (4) | 0.5817 (4) | 0.18418 (7) | 0.0176 (2) | |
H101_2 | 0.4073 | 0.5866 | 0.1770 | 0.021* | |
H102_2 | 0.3093 | 0.6343 | 0.1800 | 0.021* | |
O6_3 | 0.1922 (3) | 0.6761 (3) | 0.33194 (6) | 0.02081 (16) | |
H1W_3 | 0.168 (2) | 0.716 (2) | 0.3385 (5) | 0.025* | |
H2W_3 | 0.172 (3) | 0.686 (3) | 0.3205 (2) | 0.025* | |
O7_3 | 0.3068 (3) | 0.4279 (3) | 0.35467 (6) | 0.02090 (17) | |
H3W_3 | 0.313 (3) | 0.3752 (14) | 0.3498 (5) | 0.025* | |
H4W_3 | 0.346 (2) | 0.430 (3) | 0.3643 (4) | 0.025* | |
Fe3_3 | 0.24848 (9) | 0.55168 (9) | 0.342494 (15) | 0.01219 (7) | 0.8928 (19) |
O1_3 | 0.1210 (2) | 0.5284 (2) | 0.35782 (4) | 0.01543 (15) | 0.8928 (19) |
O2_3 | 0.1592 (2) | 0.4466 (3) | 0.32451 (5) | 0.01650 (15) | 0.8928 (19) |
O3_3 | 0.3045 (2) | 0.5392 (3) | 0.31347 (5) | 0.01685 (16) | 0.8928 (19) |
O4_3 | 0.3885 (2) | 0.6187 (3) | 0.34641 (5) | 0.01722 (15) | 0.8928 (19) |
O5_3 | 0.2717 (2) | 0.6149 (3) | 0.37187 (5) | 0.02154 (16) | 0.8928 (19) |
C1_3 | 0.0711 (4) | 0.4453 (4) | 0.35124 (7) | 0.0203 (2) | 0.8928 (19) |
H11_3 | 0.0081 | 0.4461 | 0.3556 | 0.024* | 0.8928 (19) |
H12_3 | 0.1039 | 0.3885 | 0.3567 | 0.024* | 0.8928 (19) |
C2_3 | 0.0655 (3) | 0.4454 (4) | 0.32905 (7) | 0.0205 (2) | 0.8928 (19) |
H21_3 | 0.0330 | 0.3885 | 0.3235 | 0.025* | 0.8928 (19) |
H22_3 | 0.0317 | 0.5017 | 0.3236 | 0.025* | 0.8928 (19) |
C3_3 | 0.1687 (3) | 0.4526 (4) | 0.30382 (7) | 0.0178 (2) | 0.8928 (19) |
H31_3 | 0.1368 | 0.5093 | 0.2981 | 0.021* | 0.8928 (19) |
H32_3 | 0.1414 | 0.3965 | 0.2968 | 0.021* | 0.8928 (19) |
C4_3 | 0.2703 (4) | 0.4579 (4) | 0.30212 (7) | 0.0175 (2) | 0.8928 (19) |
H41_3 | 0.3018 | 0.4001 | 0.3074 | 0.021* | 0.8928 (19) |
H42_3 | 0.2817 | 0.4652 | 0.2882 | 0.021* | 0.8928 (19) |
C5_3 | 0.4039 (3) | 0.5480 (4) | 0.31561 (7) | 0.0210 (2) | 0.8928 (19) |
H51_3 | 0.4269 | 0.5555 | 0.3026 | 0.025* | 0.8928 (19) |
H52_3 | 0.4331 | 0.4916 | 0.3221 | 0.025* | 0.8928 (19) |
C6_3 | 0.4259 (4) | 0.6344 (4) | 0.32813 (7) | 0.0228 (2) | 0.8928 (19) |
H61_3 | 0.4938 | 0.6440 | 0.3304 | 0.027* | 0.8928 (19) |
H62_3 | 0.3975 | 0.6909 | 0.3215 | 0.027* | 0.8928 (19) |
C7_3 | 0.3900 (4) | 0.7004 (4) | 0.35874 (7) | 0.0207 (2) | 0.8928 (19) |
H71_3 | 0.3516 | 0.7509 | 0.3521 | 0.025* | 0.8928 (19) |
H72_3 | 0.4542 | 0.7239 | 0.3616 | 0.025* | 0.8928 (19) |
C8_3 | 0.3515 (3) | 0.6723 (4) | 0.37755 (7) | 0.0201 (2) | 0.8928 (19) |
H81_3 | 0.3984 | 0.6365 | 0.3862 | 0.024* | 0.8928 (19) |
H82_3 | 0.3337 | 0.7287 | 0.3847 | 0.024* | 0.8928 (19) |
C9_3 | 0.1976 (4) | 0.6205 (4) | 0.38370 (7) | 0.0167 (2) | 0.8928 (19) |
H91_3 | 0.1602 | 0.6778 | 0.3805 | 0.020* | 0.8928 (19) |
H92_3 | 0.2212 | 0.6217 | 0.3978 | 0.020* | 0.8928 (19) |
C10_3 | 0.1409 (4) | 0.5337 (4) | 0.37880 (7) | 0.0176 (2) | 0.8928 (19) |
H101_3 | 0.1757 | 0.4772 | 0.3838 | 0.021* | 0.8928 (19) |
H102_3 | 0.0824 | 0.5367 | 0.3850 | 0.021* | 0.8928 (19) |
Fe9_9 | 0.2500 (5) | 0.5563 (5) | 0.34475 (9) | 0.01219 (7) | 0.1072 (19) |
O1_9 | 0.3732 (6) | 0.5825 (8) | 0.32980 (14) | 0.01543 (15) | 0.1072 (19) |
O2_9 | 0.3418 (7) | 0.6500 (8) | 0.36270 (13) | 0.01650 (15) | 0.1072 (19) |
O3_9 | 0.1956 (7) | 0.5699 (8) | 0.37257 (11) | 0.01685 (16) | 0.1072 (19) |
O4_9 | 0.1114 (6) | 0.4889 (8) | 0.34181 (15) | 0.01722 (15) | 0.1072 (19) |
O5_9 | 0.2265 (7) | 0.4923 (8) | 0.31753 (11) | 0.02154 (16) | 0.1072 (19) |
C1_9 | 0.4253 (7) | 0.6631 (10) | 0.33657 (18) | 0.0203 (2) | 0.1072 (19) |
H1A_9 | 0.3939 | 0.7205 | 0.3319 | 0.024* | 0.1072 (19) |
H1B_9 | 0.4856 | 0.6618 | 0.3321 | 0.024* | 0.1072 (19) |
C2_9 | 0.4347 (7) | 0.6600 (10) | 0.35759 (18) | 0.0205 (2) | 0.1072 (19) |
H2A_9 | 0.4726 | 0.6067 | 0.3624 | 0.025* | 0.1072 (19) |
H2B_9 | 0.4629 | 0.7177 | 0.3630 | 0.025* | 0.1072 (19) |
C3_9 | 0.3332 (9) | 0.6485 (11) | 0.38284 (13) | 0.0178 (2) | 0.1072 (19) |
H3A_9 | 0.3615 | 0.7043 | 0.3891 | 0.021* | 0.1072 (19) |
H3B_9 | 0.3627 | 0.5927 | 0.3888 | 0.021* | 0.1072 (19) |
C4_9 | 0.2323 (9) | 0.6471 (10) | 0.38418 (13) | 0.0175 (2) | 0.1072 (19) |
H4A_9 | 0.2208 | 0.6382 | 0.3974 | 0.021* | 0.1072 (19) |
H4B_9 | 0.2041 | 0.7061 | 0.3795 | 0.021* | 0.1072 (19) |
C5_9 | 0.1005 (8) | 0.5589 (11) | 0.37186 (17) | 0.0210 (2) | 0.1072 (19) |
H5A_9 | 0.0688 | 0.6146 | 0.3664 | 0.025* | 0.1072 (19) |
H5B_9 | 0.0835 | 0.5491 | 0.3846 | 0.025* | 0.1072 (19) |
C6_9 | 0.0753 (7) | 0.4725 (10) | 0.35929 (18) | 0.0228 (2) | 0.1072 (19) |
H6A_9 | 0.1020 | 0.4158 | 0.3654 | 0.027* | 0.1072 (19) |
H6B_9 | 0.0088 | 0.4648 | 0.3571 | 0.027* | 0.1072 (19) |
C7_9 | 0.1054 (8) | 0.4116 (9) | 0.32846 (18) | 0.0207 (2) | 0.1072 (19) |
H7A_9 | 0.0415 | 0.3928 | 0.3252 | 0.025* | 0.1072 (19) |
H7B_9 | 0.1397 | 0.3578 | 0.3341 | 0.025* | 0.1072 (19) |
C8_9 | 0.1434 (9) | 0.4417 (10) | 0.31142 (15) | 0.0201 (2) | 0.1072 (19) |
H8A_9 | 0.1564 | 0.3873 | 0.3038 | 0.024* | 0.1072 (19) |
H8B_9 | 0.0999 | 0.4823 | 0.3037 | 0.024* | 0.1072 (19) |
C9_9 | 0.2960 (9) | 0.4932 (10) | 0.30491 (13) | 0.0167 (2) | 0.1072 (19) |
H9A_9 | 0.2679 | 0.4931 | 0.2917 | 0.020* | 0.1072 (19) |
H9B_9 | 0.3349 | 0.4377 | 0.3070 | 0.020* | 0.1072 (19) |
C10_9 | 0.3518 (9) | 0.5813 (11) | 0.30912 (13) | 0.0176 (2) | 0.1072 (19) |
H10A_9 | 0.4078 | 0.5793 | 0.3030 | 0.021* | 0.1072 (19) |
H10B_9 | 0.3166 | 0.6369 | 0.3047 | 0.021* | 0.1072 (19) |
O6_4 | 0.1748 (3) | 0.6730 (3) | 0.45514 (5) | 0.02081 (16) | |
H1W_4 | 0.164 (4) | 0.717 (2) | 0.4623 (5) | 0.025* | |
H2W_4 | 0.176 (3) | 0.695 (2) | 0.4440 (2) | 0.025* | |
O7_4 | 0.3166 (3) | 0.4394 (3) | 0.47867 (5) | 0.02090 (17) | |
H3W_4 | 0.329 (3) | 0.3856 (14) | 0.4752 (5) | 0.025* | |
H4W_4 | 0.352 (2) | 0.448 (3) | 0.4887 (4) | 0.025* | |
Fe4_4 | 0.24573 (6) | 0.55683 (7) | 0.466663 (11) | 0.01219 (7) | |
O1_4 | 0.1254 (2) | 0.5225 (3) | 0.48319 (5) | 0.01543 (15) | |
O2_4 | 0.1622 (2) | 0.4486 (3) | 0.44938 (5) | 0.01650 (15) | |
O3_4 | 0.2982 (2) | 0.5517 (3) | 0.43727 (4) | 0.01685 (16) | |
O4_4 | 0.3789 (2) | 0.6365 (3) | 0.46921 (5) | 0.01722 (15) | |
O5_4 | 0.2671 (2) | 0.6241 (3) | 0.49539 (5) | 0.02154 (16) | |
C1_4 | 0.0793 (4) | 0.4357 (4) | 0.47687 (8) | 0.0203 (2) | |
H11_4 | 0.0177 | 0.4316 | 0.4818 | 0.024* | |
H12_4 | 0.1168 | 0.3808 | 0.4818 | 0.024* | |
C2_4 | 0.0696 (3) | 0.4384 (5) | 0.45455 (7) | 0.0205 (2) | |
H21_4 | 0.0412 | 0.3797 | 0.4490 | 0.025* | |
H22_4 | 0.0306 | 0.4923 | 0.4496 | 0.025* | |
C3_4 | 0.1674 (3) | 0.4535 (4) | 0.42874 (7) | 0.0178 (2) | |
H31_4 | 0.1302 | 0.5069 | 0.4229 | 0.021* | |
H32_4 | 0.1443 | 0.3947 | 0.4222 | 0.021* | |
C4_4 | 0.2698 (4) | 0.4677 (4) | 0.42657 (7) | 0.0175 (2) | |
H41_4 | 0.3063 | 0.4131 | 0.4320 | 0.021* | |
H42_4 | 0.2793 | 0.4746 | 0.4125 | 0.021* | |
C5_4 | 0.3952 (3) | 0.5727 (4) | 0.43808 (7) | 0.0210 (2) | |
H51_4 | 0.4126 | 0.5850 | 0.4247 | 0.025* | |
H52_4 | 0.4326 | 0.5194 | 0.4439 | 0.025* | |
C6_4 | 0.4109 (4) | 0.6562 (5) | 0.45038 (7) | 0.0228 (2) | |
H61_4 | 0.4777 | 0.6720 | 0.4521 | 0.027* | |
H62_4 | 0.3765 | 0.7104 | 0.4441 | 0.027* | |
C7_4 | 0.3766 (4) | 0.7169 (4) | 0.48151 (8) | 0.0207 (2) | |
H71_4 | 0.3330 | 0.7644 | 0.4753 | 0.025* | |
H72_4 | 0.4390 | 0.7455 | 0.4839 | 0.025* | |
C8_4 | 0.3447 (4) | 0.6832 (4) | 0.50064 (8) | 0.0201 (2) | |
H81_4 | 0.3948 | 0.6478 | 0.5084 | 0.024* | |
H82_4 | 0.3269 | 0.7371 | 0.5086 | 0.024* | |
C9_4 | 0.1960 (4) | 0.6196 (4) | 0.50837 (8) | 0.0167 (2) | |
H91_4 | 0.1515 | 0.6721 | 0.5057 | 0.020* | |
H92_4 | 0.2232 | 0.6230 | 0.5223 | 0.020* | |
C10_4 | 0.1479 (4) | 0.5253 (4) | 0.50411 (7) | 0.0176 (2) | |
H101_4 | 0.1897 | 0.4727 | 0.5086 | 0.021* | |
H102_4 | 0.0910 | 0.5209 | 0.5109 | 0.021* | |
O6_5 | 0.3201 (3) | 0.4325 (3) | 0.60816 (5) | 0.02081 (16) | |
H1W_5 | 0.355 (2) | 0.423 (3) | 0.6181 (3) | 0.025* | |
H2W_5 | 0.323 (3) | 0.388 (2) | 0.6007 (5) | 0.025* | |
O7_5 | 0.1949 (3) | 0.6748 (3) | 0.58559 (6) | 0.02090 (17) | |
H3W_5 | 0.184 (3) | 0.7164 (19) | 0.5931 (4) | 0.025* | |
H4W_5 | 0.157 (2) | 0.676 (3) | 0.5760 (3) | 0.025* | |
Fe5_5 | 0.25751 (6) | 0.55685 (6) | 0.597484 (10) | 0.01219 (7) | |
O1_5 | 0.3800 (2) | 0.5878 (3) | 0.58124 (5) | 0.01543 (15) | |
O2_5 | 0.3442 (2) | 0.6593 (3) | 0.61533 (5) | 0.01650 (15) | |
O3_5 | 0.2008 (2) | 0.5661 (3) | 0.62667 (5) | 0.01685 (16) | |
O4_5 | 0.1187 (2) | 0.4864 (3) | 0.59387 (5) | 0.01722 (15) | |
O5_5 | 0.2383 (3) | 0.4868 (3) | 0.56900 (5) | 0.02154 (16) | |
C1_5 | 0.4296 (4) | 0.6713 (4) | 0.58831 (8) | 0.0203 (2) | |
H11_5 | 0.3952 | 0.7283 | 0.5835 | 0.024* | |
H12_5 | 0.4918 | 0.6728 | 0.5836 | 0.024* | |
C2_5 | 0.4377 (4) | 0.6670 (5) | 0.61010 (8) | 0.0205 (2) | |
H21_5 | 0.4751 | 0.6119 | 0.6150 | 0.025* | |
H22_5 | 0.4679 | 0.7246 | 0.6159 | 0.025* | |
C3_5 | 0.3371 (4) | 0.6493 (4) | 0.63611 (7) | 0.0178 (2) | |
H31_5 | 0.3662 | 0.7035 | 0.6435 | 0.021* | |
H32_5 | 0.3679 | 0.5909 | 0.6412 | 0.021* | |
C4_5 | 0.2358 (4) | 0.6458 (4) | 0.63799 (8) | 0.0175 (2) | |
H41_5 | 0.2248 | 0.6383 | 0.6519 | 0.021* | |
H42_5 | 0.2051 | 0.7042 | 0.6328 | 0.021* | |
C5_5 | 0.1014 (3) | 0.5585 (5) | 0.62427 (7) | 0.0210 (2) | |
H51_5 | 0.0732 | 0.6146 | 0.6174 | 0.025* | |
H52_5 | 0.0773 | 0.5527 | 0.6372 | 0.025* | |
C6_5 | 0.0797 (4) | 0.4700 (4) | 0.61194 (8) | 0.0228 (2) | |
H61_5 | 0.1082 | 0.4140 | 0.6187 | 0.027* | |
H62_5 | 0.0119 | 0.4601 | 0.6095 | 0.027* | |
C7_5 | 0.1156 (4) | 0.4048 (4) | 0.58112 (8) | 0.0207 (2) | |
H71_5 | 0.0508 | 0.3834 | 0.5779 | 0.025* | |
H72_5 | 0.1521 | 0.3527 | 0.5877 | 0.025* | |
C8_5 | 0.1563 (4) | 0.4344 (5) | 0.56275 (8) | 0.0201 (2) | |
H81_5 | 0.1717 | 0.3785 | 0.5551 | 0.024* | |
H82_5 | 0.1117 | 0.4737 | 0.5544 | 0.024* | |
C9_5 | 0.3062 (4) | 0.4947 (4) | 0.55576 (8) | 0.0167 (2) | |
H91_5 | 0.2769 | 0.4940 | 0.5420 | 0.020* | |
H92_5 | 0.3510 | 0.4422 | 0.5576 | 0.020* | |
C10_5 | 0.3542 (4) | 0.5877 (4) | 0.56045 (7) | 0.0176 (2) | |
H101_5 | 0.4098 | 0.5936 | 0.5533 | 0.021* | |
H102_5 | 0.3118 | 0.6406 | 0.5566 | 0.021* | |
O6_6 | 0.1856 (3) | 0.6747 (3) | 0.70530 (5) | 0.02081 (16) | |
H1W_6 | 0.166 (3) | 0.681 (3) | 0.69369 (19) | 0.025* | |
H2W_6 | 0.158 (2) | 0.713 (2) | 0.7114 (5) | 0.025* | |
O7_6 | 0.3058 (3) | 0.4290 (3) | 0.72815 (6) | 0.02090 (17) | |
H3W_6 | 0.320 (3) | 0.428 (3) | 0.74012 (17) | 0.025* | |
H4W_6 | 0.314 (3) | 0.3748 (12) | 0.7246 (5) | 0.025* | |
Fe6_6 | 0.24535 (6) | 0.55114 (6) | 0.715983 (11) | 0.01219 (7) | |
O1_6 | 0.1199 (2) | 0.5229 (3) | 0.73185 (5) | 0.01543 (15) | |
O2_6 | 0.1574 (2) | 0.4450 (3) | 0.69807 (5) | 0.01650 (15) | |
O3_6 | 0.3028 (2) | 0.5397 (3) | 0.68718 (5) | 0.01685 (16) | |
O4_6 | 0.3852 (2) | 0.6192 (3) | 0.72033 (5) | 0.01722 (15) | |
O5_6 | 0.2648 (2) | 0.6200 (3) | 0.74484 (5) | 0.02154 (16) | |
C1_6 | 0.0721 (4) | 0.4392 (5) | 0.72524 (8) | 0.0203 (2) | |
H11_6 | 0.0098 | 0.4373 | 0.7299 | 0.024* | |
H12_6 | 0.1072 | 0.3829 | 0.7303 | 0.024* | |
C2_6 | 0.0642 (4) | 0.4421 (5) | 0.70299 (8) | 0.0205 (2) | |
H21_6 | 0.0319 | 0.3854 | 0.6973 | 0.025* | |
H22_6 | 0.0295 | 0.4985 | 0.6979 | 0.025* | |
C3_6 | 0.1665 (4) | 0.4531 (4) | 0.67751 (7) | 0.0178 (2) | |
H31_6 | 0.1346 | 0.5103 | 0.6720 | 0.021* | |
H32_6 | 0.1389 | 0.3977 | 0.6703 | 0.021* | |
C4_6 | 0.2688 (4) | 0.4587 (4) | 0.67570 (8) | 0.0175 (2) | |
H41_6 | 0.3005 | 0.4008 | 0.6809 | 0.021* | |
H42_6 | 0.2799 | 0.4665 | 0.6618 | 0.021* | |
C5_6 | 0.4020 (3) | 0.5493 (5) | 0.68969 (8) | 0.0210 (2) | |
H51_6 | 0.4259 | 0.5563 | 0.6767 | 0.025* | |
H52_6 | 0.4309 | 0.4930 | 0.6963 | 0.025* | |
C6_6 | 0.4247 (4) | 0.6344 (4) | 0.70194 (8) | 0.0228 (2) | |
H61_6 | 0.4927 | 0.6427 | 0.7044 | 0.027* | |
H62_6 | 0.3976 | 0.6912 | 0.6952 | 0.027* | |
C7_6 | 0.3862 (4) | 0.7011 (4) | 0.73242 (8) | 0.0207 (2) | |
H71_6 | 0.3480 | 0.7515 | 0.7256 | 0.025* | |
H72_6 | 0.4504 | 0.7247 | 0.7355 | 0.025* | |
C8_6 | 0.3468 (4) | 0.6722 (5) | 0.75096 (8) | 0.0201 (2) | |
H81_6 | 0.3918 | 0.6329 | 0.7593 | 0.024* | |
H82_6 | 0.3318 | 0.7282 | 0.7586 | 0.024* | |
C9_6 | 0.1929 (4) | 0.6161 (4) | 0.75766 (8) | 0.0167 (2) | |
H91_6 | 0.1502 | 0.6701 | 0.7552 | 0.020* | |
H92_6 | 0.2198 | 0.6173 | 0.7716 | 0.020* | |
C10_6 | 0.1432 (4) | 0.5262 (4) | 0.75300 (7) | 0.0176 (2) | |
H101_6 | 0.1832 | 0.4722 | 0.7574 | 0.021* | |
H102_6 | 0.0862 | 0.5233 | 0.7597 | 0.021* | |
O6_7 | 0.3221 (3) | 0.4348 (3) | 0.85616 (5) | 0.02081 (16) | |
H1W_7 | 0.340 (3) | 0.388 (2) | 0.8506 (5) | 0.025* | |
H2W_7 | 0.354 (2) | 0.437 (3) | 0.8668 (3) | 0.025* | |
O7_7 | 0.1785 (3) | 0.6664 (3) | 0.83320 (5) | 0.02090 (17) | |
H3W_7 | 0.173 (3) | 0.7141 (17) | 0.8397 (4) | 0.025* | |
H4W_7 | 0.176 (3) | 0.685 (2) | 0.8218 (2) | 0.025* | |
Fe7_7 | 0.25256 (8) | 0.55358 (9) | 0.845308 (14) | 0.01219 (7) | 0.8775 (19) |
O1_7 | 0.3754 (2) | 0.5873 (2) | 0.82880 (5) | 0.01543 (15) | 0.8775 (19) |
O2_7 | 0.3355 (2) | 0.6627 (3) | 0.86243 (5) | 0.01650 (15) | 0.8775 (19) |
O3_7 | 0.2011 (2) | 0.5590 (3) | 0.87509 (4) | 0.01685 (16) | 0.8775 (19) |
O4_7 | 0.1205 (2) | 0.4716 (3) | 0.84280 (5) | 0.01722 (15) | 0.8775 (19) |
O5_7 | 0.2296 (2) | 0.4913 (3) | 0.81580 (5) | 0.02154 (16) | 0.8775 (19) |
C1_7 | 0.4205 (4) | 0.6728 (4) | 0.83555 (8) | 0.0203 (2) | 0.8775 (19) |
H11_7 | 0.3839 | 0.7277 | 0.8303 | 0.024* | 0.8775 (19) |
H12_7 | 0.4829 | 0.6765 | 0.8310 | 0.024* | 0.8775 (19) |
C2_7 | 0.4283 (3) | 0.6723 (4) | 0.85739 (7) | 0.0205 (2) | 0.8775 (19) |
H21_7 | 0.4673 | 0.6191 | 0.8627 | 0.025* | 0.8775 (19) |
H22_7 | 0.4563 | 0.7317 | 0.8627 | 0.025* | 0.8775 (19) |
C3_7 | 0.3276 (3) | 0.6572 (4) | 0.88332 (7) | 0.0178 (2) | 0.8775 (19) |
H31_7 | 0.3513 | 0.7155 | 0.8900 | 0.021* | 0.8775 (19) |
H32_7 | 0.3637 | 0.6032 | 0.8892 | 0.021* | 0.8775 (19) |
C4_7 | 0.2261 (4) | 0.6446 (4) | 0.88538 (7) | 0.0175 (2) | 0.8775 (19) |
H41_7 | 0.2156 | 0.6395 | 0.8994 | 0.021* | 0.8775 (19) |
H42_7 | 0.1896 | 0.6982 | 0.8794 | 0.021* | 0.8775 (19) |
C5_7 | 0.1047 (3) | 0.5376 (4) | 0.87415 (8) | 0.0210 (2) | 0.8775 (19) |
H51_7 | 0.0671 | 0.5901 | 0.8680 | 0.025* | 0.8775 (19) |
H52_7 | 0.0864 | 0.5267 | 0.8875 | 0.025* | 0.8775 (19) |
C6_7 | 0.0901 (4) | 0.4481 (4) | 0.86157 (7) | 0.0228 (2) | 0.8775 (19) |
H61_7 | 0.1271 | 0.3954 | 0.8678 | 0.027* | 0.8775 (19) |
H62_7 | 0.0239 | 0.4297 | 0.8600 | 0.027* | 0.8775 (19) |
C7_7 | 0.1257 (4) | 0.3908 (4) | 0.82999 (7) | 0.0207 (2) | 0.8775 (19) |
H71_7 | 0.0644 | 0.3598 | 0.8277 | 0.025* | 0.8775 (19) |
H72_7 | 0.1710 | 0.3446 | 0.8361 | 0.025* | 0.8775 (19) |
C8_7 | 0.1554 (4) | 0.4254 (4) | 0.81105 (7) | 0.0201 (2) | 0.8775 (19) |
H81_7 | 0.1770 | 0.3723 | 0.8034 | 0.024* | 0.8775 (19) |
H82_7 | 0.1029 | 0.4565 | 0.8031 | 0.024* | 0.8775 (19) |
C9_7 | 0.3042 (4) | 0.4912 (4) | 0.80387 (7) | 0.0167 (2) | 0.8775 (19) |
H91_7 | 0.2805 | 0.4859 | 0.7898 | 0.020* | 0.8775 (19) |
H92_7 | 0.3467 | 0.4379 | 0.8074 | 0.020* | 0.8775 (19) |
C10_7 | 0.3534 (4) | 0.5832 (4) | 0.80787 (7) | 0.0176 (2) | 0.8775 (19) |
H101_7 | 0.4105 | 0.5857 | 0.8012 | 0.021* | 0.8775 (19) |
H102_7 | 0.3128 | 0.6363 | 0.8032 | 0.021* | 0.8775 (19) |
Fe10_10 | 0.2474 (4) | 0.5575 (4) | 0.84215 (7) | 0.01219 (7) | 0.1225 (19) |
O1_10 | 0.1299 (5) | 0.5194 (7) | 0.85834 (12) | 0.01543 (15) | 0.1225 (19) |
O2_10 | 0.1631 (6) | 0.4554 (6) | 0.82486 (11) | 0.01650 (15) | 0.1225 (19) |
O3_10 | 0.2986 (6) | 0.5506 (7) | 0.81417 (9) | 0.01685 (16) | 0.1225 (19) |
O4_10 | 0.3797 (5) | 0.6369 (7) | 0.84471 (13) | 0.01722 (15) | 0.1225 (19) |
O5_10 | 0.2680 (6) | 0.6227 (7) | 0.86956 (9) | 0.02154 (16) | 0.1225 (19) |
C1_10 | 0.0838 (7) | 0.4321 (8) | 0.85145 (15) | 0.0203 (2) | 0.1225 (19) |
H1A_10 | 0.0237 | 0.4273 | 0.8560 | 0.024* | 0.1225 (19) |
H1B_10 | 0.1203 | 0.3775 | 0.8560 | 0.024* | 0.1225 (19) |
C2_10 | 0.0737 (6) | 0.4373 (8) | 0.82962 (15) | 0.0205 (2) | 0.1225 (19) |
H2A_10 | 0.0502 | 0.3781 | 0.8240 | 0.025* | 0.1225 (19) |
H2B_10 | 0.0318 | 0.4878 | 0.8250 | 0.025* | 0.1225 (19) |
C3_10 | 0.1673 (8) | 0.4577 (9) | 0.80484 (11) | 0.0178 (2) | 0.1225 (19) |
H3A_10 | 0.1312 | 0.5100 | 0.7990 | 0.021* | 0.1225 (19) |
H3B_10 | 0.1437 | 0.3992 | 0.7989 | 0.021* | 0.1225 (19) |
C4_10 | 0.2677 (8) | 0.4700 (9) | 0.80250 (11) | 0.0175 (2) | 0.1225 (19) |
H4A_10 | 0.3026 | 0.4139 | 0.8068 | 0.021* | 0.1225 (19) |
H4B_10 | 0.2754 | 0.4814 | 0.7892 | 0.021* | 0.1225 (19) |
C5_10 | 0.3964 (7) | 0.5710 (9) | 0.81481 (14) | 0.0210 (2) | 0.1225 (19) |
H5A_10 | 0.4127 | 0.5818 | 0.8020 | 0.025* | 0.1225 (19) |
H5B_10 | 0.4331 | 0.5190 | 0.8206 | 0.025* | 0.1225 (19) |
C6_10 | 0.4114 (7) | 0.6576 (8) | 0.82668 (15) | 0.0228 (2) | 0.1225 (19) |
H6A_10 | 0.4764 | 0.6741 | 0.8285 | 0.027* | 0.1225 (19) |
H6B_10 | 0.3770 | 0.7102 | 0.8205 | 0.027* | 0.1225 (19) |
C7_10 | 0.3808 (8) | 0.7162 (7) | 0.85698 (16) | 0.0207 (2) | 0.1225 (19) |
H7A_10 | 0.3419 | 0.7661 | 0.8510 | 0.025* | 0.1225 (19) |
H7B_10 | 0.4431 | 0.7404 | 0.8599 | 0.025* | 0.1225 (19) |
C8_10 | 0.3443 (8) | 0.6820 (8) | 0.87527 (13) | 0.0201 (2) | 0.1225 (19) |
H8A_10 | 0.3918 | 0.6473 | 0.8832 | 0.024* | 0.1225 (19) |
H8B_10 | 0.3255 | 0.7354 | 0.8826 | 0.024* | 0.1225 (19) |
C9_10 | 0.2029 (8) | 0.6154 (9) | 0.88277 (11) | 0.0167 (2) | 0.1225 (19) |
H9A_10 | 0.1597 | 0.6677 | 0.8812 | 0.020* | 0.1225 (19) |
H9B_10 | 0.2336 | 0.6160 | 0.8958 | 0.020* | 0.1225 (19) |
C10_10 | 0.1542 (8) | 0.5238 (9) | 0.87851 (11) | 0.0176 (2) | 0.1225 (19) |
H10A_10 | 0.1943 | 0.4713 | 0.8828 | 0.021* | 0.1225 (19) |
H10B_10 | 0.0994 | 0.5206 | 0.8850 | 0.021* | 0.1225 (19) |
O6_8 | 0.3099 (3) | 0.4328 (3) | 0.98143 (6) | 0.02081 (16) | |
H1W_8 | 0.314 (3) | 0.3859 (19) | 0.9745 (5) | 0.025* | |
H2W_8 | 0.346 (2) | 0.425 (3) | 0.9912 (3) | 0.025* | |
O7_8 | 0.1946 (3) | 0.6781 (3) | 0.95834 (6) | 0.02090 (17) | |
H3W_8 | 0.181 (3) | 0.720 (2) | 0.9659 (4) | 0.025* | |
H4W_8 | 0.160 (2) | 0.686 (3) | 0.9482 (3) | 0.025* | |
Fe8_8 | 0.25230 (6) | 0.55887 (7) | 0.970394 (11) | 0.01219 (7) | |
O1_8 | 0.3778 (2) | 0.5824 (3) | 0.95507 (5) | 0.01543 (15) | |
O2_8 | 0.3414 (2) | 0.6604 (3) | 0.98859 (5) | 0.01650 (15) | |
O3_8 | 0.1951 (2) | 0.5698 (3) | 0.99922 (5) | 0.01685 (16) | |
O4_8 | 0.1119 (2) | 0.4902 (3) | 0.96662 (5) | 0.01722 (15) | |
O5_8 | 0.2306 (2) | 0.4915 (3) | 0.94167 (5) | 0.02154 (16) | |
C1_8 | 0.4295 (4) | 0.6665 (4) | 0.96199 (8) | 0.0203 (2) | |
H11_8 | 0.3970 | 0.7239 | 0.9568 | 0.024* | |
H12_8 | 0.4924 | 0.6656 | 0.9576 | 0.024* | |
C2_8 | 0.4355 (4) | 0.6647 (5) | 0.98397 (7) | 0.0205 (2) | |
H21_8 | 0.4708 | 0.6091 | 0.9893 | 0.025* | |
H22_8 | 0.4665 | 0.7221 | 0.9896 | 0.025* | |
C3_8 | 0.3316 (4) | 0.6542 (4) | 1.00929 (7) | 0.0178 (2) | |
H31_8 | 0.3593 | 0.7099 | 1.0163 | 0.021* | |
H32_8 | 0.3627 | 0.5970 | 1.0150 | 0.021* | |
C4_8 | 0.2293 (4) | 0.6499 (4) | 1.01075 (8) | 0.0175 (2) | |
H41_8 | 0.2171 | 0.6422 | 1.0246 | 0.021* | |
H42_8 | 0.1987 | 0.7082 | 1.0055 | 0.021* | |
C5_8 | 0.0958 (3) | 0.5622 (5) | 0.99711 (7) | 0.0210 (2) | |
H51_8 | 0.0671 | 0.6182 | 0.9904 | 0.025* | |
H52_8 | 0.0725 | 0.5561 | 1.0101 | 0.025* | |
C6_8 | 0.0746 (4) | 0.4756 (4) | 0.98504 (8) | 0.0228 (2) | |
H61_8 | 0.1034 | 0.4199 | 0.9919 | 0.027* | |
H62_8 | 0.0067 | 0.4655 | 0.9828 | 0.027* | |
C7_8 | 0.1098 (4) | 0.4079 (4) | 0.95431 (8) | 0.0207 (2) | |
H71_8 | 0.0454 | 0.3851 | 0.9512 | 0.025* | |
H72_8 | 0.1476 | 0.3569 | 0.9610 | 0.025* | |
C8_8 | 0.1496 (4) | 0.4377 (4) | 0.93568 (8) | 0.0201 (2) | |
H81_8 | 0.1657 | 0.3819 | 0.9281 | 0.024* | |
H82_8 | 0.1040 | 0.4760 | 0.9273 | 0.024* | |
C9_8 | 0.3040 (4) | 0.4914 (4) | 0.92946 (8) | 0.0167 (2) | |
H91_8 | 0.2790 | 0.4898 | 0.9154 | 0.020* | |
H92_8 | 0.3446 | 0.4360 | 0.9323 | 0.020* | |
C10_8 | 0.3577 (4) | 0.5818 (4) | 0.93420 (7) | 0.0176 (2) | |
H101_8 | 0.4157 | 0.5825 | 0.9278 | 0.021* | |
H102_8 | 0.3199 | 0.6372 | 0.9297 | 0.021* | |
N1_11 | 0.0705 (3) | 0.7426 (4) | 0.03409 (7) | 0.01766 (19) | |
O8_11 | 0.0448 (3) | 0.6710 (3) | 0.04146 (6) | 0.0331 (2) | |
O9_11 | 0.1424 (3) | 0.7865 (3) | 0.04275 (6) | 0.02545 (17) | |
O10_11 | 0.0344 (3) | 0.7765 (3) | 0.01851 (6) | 0.02637 (17) | |
N2_12 | 0.1012 (3) | 0.7299 (3) | 0.16453 (6) | 0.01585 (19) | |
O8_12 | 0.0881 (3) | 0.6568 (3) | 0.17350 (5) | 0.02458 (17) | |
O9_12 | 0.1790 (3) | 0.7722 (3) | 0.16751 (5) | 0.02463 (17) | |
O10_12 | 0.0428 (3) | 0.7649 (3) | 0.15210 (6) | 0.02607 (18) | |
N3_13 | 0.0802 (3) | 0.7366 (3) | 0.28760 (7) | 0.01766 (19) | |
O8_13 | 0.0697 (3) | 0.6663 (3) | 0.29765 (6) | 0.0331 (2) | |
O9_13 | 0.1438 (3) | 0.7966 (3) | 0.29326 (6) | 0.02545 (17) | |
O10_13 | 0.0325 (3) | 0.7504 (3) | 0.27145 (6) | 0.02637 (17) | |
N4_14 | 0.0765 (3) | 0.7388 (3) | 0.41028 (7) | 0.01766 (19) | |
O8_14 | 0.0499 (3) | 0.6654 (3) | 0.41646 (6) | 0.0331 (2) | |
O9_14 | 0.1523 (3) | 0.7756 (3) | 0.41899 (6) | 0.02545 (17) | |
O10_14 | 0.0379 (3) | 0.7835 (3) | 0.39629 (5) | 0.02637 (17) | |
N5_15 | 0.1000 (3) | 0.7349 (3) | 0.54050 (6) | 0.01585 (19) | |
O8_15 | 0.0941 (3) | 0.6603 (3) | 0.54950 (5) | 0.02458 (17) | |
O9_15 | 0.1701 (3) | 0.7881 (3) | 0.54382 (6) | 0.02463 (17) | |
O10_15 | 0.0395 (3) | 0.7590 (3) | 0.52720 (6) | 0.02607 (18) | |
N6_16 | 0.0740 (3) | 0.7395 (3) | 0.66110 (7) | 0.01766 (19) | |
O8_16 | 0.0618 (3) | 0.6679 (3) | 0.67063 (5) | 0.0331 (2) | |
O9_16 | 0.1390 (3) | 0.7967 (3) | 0.66812 (5) | 0.02545 (17) | |
O10_16 | 0.0303 (3) | 0.7585 (3) | 0.64512 (5) | 0.02637 (17) | |
N7_17 | 0.0948 (3) | 0.7326 (3) | 0.78802 (6) | 0.01585 (19) | |
O8_17 | 0.0764 (2) | 0.6610 (3) | 0.79685 (5) | 0.02458 (17) | |
O9_17 | 0.1736 (2) | 0.7726 (3) | 0.79264 (5) | 0.02463 (17) | |
O10_17 | 0.0416 (3) | 0.7701 (3) | 0.77487 (5) | 0.02607 (18) | |
N8_18 | 0.0890 (3) | 0.7365 (3) | 0.91364 (7) | 0.01585 (19) | |
O8_18 | 0.0830 (3) | 0.6643 (3) | 0.92331 (5) | 0.02458 (17) | |
O9_18 | 0.1550 (3) | 0.7958 (3) | 0.91807 (6) | 0.02463 (17) | |
O10_18 | 0.0350 (3) | 0.7531 (3) | 0.89843 (5) | 0.02607 (18) | |
N9_19 | 0.3978 (3) | 0.3712 (3) | 0.14768 (6) | 0.01585 (19) | |
O8_19 | 0.4061 (3) | 0.4480 (3) | 0.13823 (5) | 0.02458 (17) | |
O9_19 | 0.3237 (2) | 0.3261 (3) | 0.14342 (5) | 0.02463 (17) | |
O10_19 | 0.4606 (3) | 0.3461 (3) | 0.16010 (6) | 0.02607 (18) | |
N10_20 | 0.4245 (3) | 0.3624 (3) | 0.27810 (7) | 0.01766 (19) | |
O8_20 | 0.4575 (3) | 0.4392 (3) | 0.27197 (6) | 0.0331 (2) | |
O9_20 | 0.3553 (3) | 0.3272 (3) | 0.26903 (6) | 0.02545 (17) | |
O10_20 | 0.4644 (3) | 0.3281 (3) | 0.29347 (5) | 0.02637 (17) | |
N11_21 | 0.4130 (3) | 0.3679 (3) | 0.40003 (7) | 0.01585 (19) | |
O8_21 | 0.4217 (3) | 0.4414 (3) | 0.38955 (5) | 0.02458 (17) | |
O9_21 | 0.3488 (3) | 0.3138 (3) | 0.39443 (6) | 0.02463 (17) | |
O10_21 | 0.4663 (3) | 0.3539 (3) | 0.41466 (6) | 0.02607 (18) | |
N12_22 | 0.4008 (3) | 0.3727 (3) | 0.52417 (6) | 0.01585 (19) | |
O8_22 | 0.4199 (3) | 0.4497 (3) | 0.51552 (5) | 0.02458 (17) | |
O9_22 | 0.3222 (3) | 0.3389 (3) | 0.51979 (5) | 0.02463 (17) | |
O10_22 | 0.4594 (3) | 0.3392 (3) | 0.53653 (6) | 0.02607 (18) | |
N13_23 | 0.4280 (3) | 0.3637 (3) | 0.65300 (7) | 0.01766 (19) | |
O8_23 | 0.4552 (3) | 0.4398 (3) | 0.64563 (5) | 0.0331 (2) | |
O9_23 | 0.3606 (3) | 0.3230 (3) | 0.64454 (6) | 0.02545 (17) | |
O10_23 | 0.4689 (3) | 0.3343 (3) | 0.66858 (5) | 0.02637 (17) | |
N14_24 | 0.4035 (3) | 0.3682 (3) | 0.77366 (6) | 0.01585 (19) | |
O8_24 | 0.4103 (3) | 0.4441 (3) | 0.76375 (5) | 0.02458 (17) | |
O9_24 | 0.3327 (2) | 0.3200 (3) | 0.76914 (6) | 0.02463 (17) | |
O10_24 | 0.4651 (3) | 0.3463 (3) | 0.78655 (5) | 0.02607 (18) | |
N15_25 | 0.4181 (3) | 0.3678 (3) | 0.90153 (6) | 0.01766 (19) | |
O8_25 | 0.4497 (2) | 0.4464 (3) | 0.89622 (5) | 0.0331 (2) | |
O9_25 | 0.3433 (2) | 0.3387 (3) | 0.89336 (5) | 0.02545 (17) | |
O10_25 | 0.4626 (3) | 0.3265 (3) | 0.91520 (5) | 0.02637 (17) | |
N16_26 | 0.4222 (3) | 0.3676 (4) | 1.02578 (7) | 0.01766 (19) | |
O8_26 | 0.4346 (3) | 0.4417 (3) | 1.01593 (6) | 0.0331 (2) | |
O9_26 | 0.3607 (3) | 0.3128 (3) | 1.01908 (6) | 0.02545 (17) | |
O10_26 | 0.4706 (3) | 0.3525 (3) | 1.04126 (6) | 0.02637 (17) |
U11 | U22 | U33 | U12 | U13 | U23 | |
O6_1 | 0.0288 (4) | 0.0183 (4) | 0.0150 (4) | 0.0075 (3) | 0.0012 (3) | −0.0008 (3) |
O7_1 | 0.0271 (4) | 0.0167 (4) | 0.0181 (4) | 0.0065 (3) | −0.0011 (3) | −0.0006 (3) |
Fe1_1 | 0.01302 (10) | 0.01201 (11) | 0.01183 (10) | −0.00025 (5) | 0.00266 (7) | −0.00071 (5) |
O1_1 | 0.0173 (3) | 0.0164 (3) | 0.0128 (3) | −0.0027 (3) | 0.0028 (3) | −0.0012 (3) |
O2_1 | 0.0160 (3) | 0.0201 (4) | 0.0136 (3) | −0.0015 (3) | 0.0027 (3) | −0.0020 (3) |
O3_1 | 0.0173 (4) | 0.0173 (3) | 0.0167 (4) | −0.0018 (3) | 0.0050 (3) | −0.0045 (3) |
O4_1 | 0.0196 (3) | 0.0187 (3) | 0.0142 (3) | −0.0044 (3) | 0.0055 (3) | −0.0029 (3) |
O5_1 | 0.0198 (4) | 0.0282 (4) | 0.0177 (4) | −0.0091 (3) | 0.0074 (3) | −0.0101 (3) |
C1_1 | 0.0195 (5) | 0.0186 (5) | 0.0236 (5) | −0.0067 (4) | 0.0067 (4) | −0.0037 (4) |
C2_1 | 0.0148 (5) | 0.0235 (5) | 0.0233 (5) | −0.0051 (4) | 0.0029 (4) | −0.0057 (4) |
C3_1 | 0.0243 (5) | 0.0170 (5) | 0.0118 (5) | −0.0021 (4) | 0.0005 (4) | −0.0047 (4) |
C4_1 | 0.0255 (5) | 0.0135 (5) | 0.0140 (5) | 0.0014 (4) | 0.0046 (4) | −0.0045 (4) |
C5_1 | 0.0161 (6) | 0.0294 (6) | 0.0191 (6) | −0.0029 (4) | 0.0083 (4) | −0.0022 (4) |
C6_1 | 0.0219 (5) | 0.0294 (5) | 0.0185 (5) | −0.0093 (4) | 0.0093 (4) | −0.0011 (4) |
C7_1 | 0.0262 (5) | 0.0173 (5) | 0.0188 (5) | −0.0066 (4) | 0.0033 (4) | −0.0053 (4) |
C8_1 | 0.0204 (5) | 0.0208 (5) | 0.0188 (5) | −0.0077 (4) | 0.0011 (4) | −0.0057 (4) |
C9_1 | 0.0181 (5) | 0.0204 (5) | 0.0125 (5) | 0.0014 (4) | 0.0056 (4) | −0.0004 (4) |
C10_1 | 0.0203 (5) | 0.0215 (5) | 0.0115 (5) | −0.0019 (4) | 0.0038 (4) | 0.0017 (4) |
O6_2 | 0.0288 (4) | 0.0183 (4) | 0.0150 (4) | 0.0075 (3) | 0.0012 (3) | −0.0008 (3) |
O7_2 | 0.0271 (4) | 0.0167 (4) | 0.0181 (4) | 0.0065 (3) | −0.0011 (3) | −0.0006 (3) |
Fe2_2 | 0.01302 (10) | 0.01201 (11) | 0.01183 (10) | −0.00025 (5) | 0.00266 (7) | −0.00071 (5) |
O1_2 | 0.0173 (3) | 0.0164 (3) | 0.0128 (3) | −0.0027 (3) | 0.0028 (3) | −0.0012 (3) |
O2_2 | 0.0160 (3) | 0.0201 (4) | 0.0136 (3) | −0.0015 (3) | 0.0027 (3) | −0.0020 (3) |
O3_2 | 0.0173 (4) | 0.0173 (3) | 0.0167 (4) | −0.0018 (3) | 0.0050 (3) | −0.0045 (3) |
O4_2 | 0.0196 (3) | 0.0187 (3) | 0.0142 (3) | −0.0044 (3) | 0.0055 (3) | −0.0029 (3) |
O5_2 | 0.0198 (4) | 0.0282 (4) | 0.0177 (4) | −0.0091 (3) | 0.0074 (3) | −0.0101 (3) |
C1_2 | 0.0195 (5) | 0.0186 (5) | 0.0236 (5) | −0.0067 (4) | 0.0067 (4) | −0.0037 (4) |
C2_2 | 0.0148 (5) | 0.0235 (5) | 0.0233 (5) | −0.0051 (4) | 0.0029 (4) | −0.0057 (4) |
C3_2 | 0.0243 (5) | 0.0170 (5) | 0.0118 (5) | −0.0021 (4) | 0.0005 (4) | −0.0047 (4) |
C4_2 | 0.0255 (5) | 0.0135 (5) | 0.0140 (5) | 0.0014 (4) | 0.0046 (4) | −0.0045 (4) |
C5_2 | 0.0161 (6) | 0.0294 (6) | 0.0191 (6) | −0.0029 (4) | 0.0083 (4) | −0.0022 (4) |
C6_2 | 0.0219 (5) | 0.0294 (5) | 0.0185 (5) | −0.0093 (4) | 0.0093 (4) | −0.0011 (4) |
C7_2 | 0.0262 (5) | 0.0173 (5) | 0.0188 (5) | −0.0066 (4) | 0.0033 (4) | −0.0053 (4) |
C8_2 | 0.0204 (5) | 0.0208 (5) | 0.0188 (5) | −0.0077 (4) | 0.0011 (4) | −0.0057 (4) |
C9_2 | 0.0181 (5) | 0.0204 (5) | 0.0125 (5) | 0.0014 (4) | 0.0056 (4) | −0.0004 (4) |
C10_2 | 0.0203 (5) | 0.0215 (5) | 0.0115 (5) | −0.0019 (4) | 0.0038 (4) | 0.0017 (4) |
O6_3 | 0.0288 (4) | 0.0183 (4) | 0.0150 (4) | 0.0075 (3) | 0.0012 (3) | −0.0008 (3) |
O7_3 | 0.0271 (4) | 0.0167 (4) | 0.0181 (4) | 0.0065 (3) | −0.0011 (3) | −0.0006 (3) |
Fe3_3 | 0.01302 (10) | 0.01201 (11) | 0.01183 (10) | −0.00025 (5) | 0.00266 (7) | −0.00071 (5) |
O1_3 | 0.0173 (3) | 0.0164 (3) | 0.0128 (3) | −0.0027 (3) | 0.0028 (3) | −0.0012 (3) |
O2_3 | 0.0160 (3) | 0.0201 (4) | 0.0136 (3) | −0.0015 (3) | 0.0027 (3) | −0.0020 (3) |
O3_3 | 0.0173 (4) | 0.0173 (3) | 0.0167 (4) | −0.0018 (3) | 0.0050 (3) | −0.0045 (3) |
O4_3 | 0.0196 (3) | 0.0187 (3) | 0.0142 (3) | −0.0044 (3) | 0.0055 (3) | −0.0029 (3) |
O5_3 | 0.0198 (4) | 0.0282 (4) | 0.0177 (4) | −0.0091 (3) | 0.0074 (3) | −0.0101 (3) |
C1_3 | 0.0195 (5) | 0.0186 (5) | 0.0236 (5) | −0.0067 (4) | 0.0067 (4) | −0.0037 (4) |
C2_3 | 0.0148 (5) | 0.0235 (5) | 0.0233 (5) | −0.0051 (4) | 0.0029 (4) | −0.0057 (4) |
C3_3 | 0.0243 (5) | 0.0170 (5) | 0.0118 (5) | −0.0021 (4) | 0.0005 (4) | −0.0047 (4) |
C4_3 | 0.0255 (5) | 0.0135 (5) | 0.0140 (5) | 0.0014 (4) | 0.0046 (4) | −0.0045 (4) |
C5_3 | 0.0161 (6) | 0.0294 (6) | 0.0191 (6) | −0.0029 (4) | 0.0083 (4) | −0.0022 (4) |
C6_3 | 0.0219 (5) | 0.0294 (5) | 0.0185 (5) | −0.0093 (4) | 0.0093 (4) | −0.0011 (4) |
C7_3 | 0.0262 (5) | 0.0173 (5) | 0.0188 (5) | −0.0066 (4) | 0.0033 (4) | −0.0053 (4) |
C8_3 | 0.0204 (5) | 0.0208 (5) | 0.0188 (5) | −0.0077 (4) | 0.0011 (4) | −0.0057 (4) |
C9_3 | 0.0181 (5) | 0.0204 (5) | 0.0125 (5) | 0.0014 (4) | 0.0056 (4) | −0.0004 (4) |
C10_3 | 0.0203 (5) | 0.0215 (5) | 0.0115 (5) | −0.0019 (4) | 0.0038 (4) | 0.0017 (4) |
Fe9_9 | 0.01302 (10) | 0.01201 (11) | 0.01183 (10) | −0.00025 (5) | 0.00266 (7) | −0.00071 (5) |
O1_9 | 0.0173 (3) | 0.0164 (3) | 0.0128 (3) | −0.0027 (3) | 0.0028 (3) | −0.0012 (3) |
O2_9 | 0.0160 (3) | 0.0201 (4) | 0.0136 (3) | −0.0015 (3) | 0.0027 (3) | −0.0020 (3) |
O3_9 | 0.0173 (4) | 0.0173 (3) | 0.0167 (4) | −0.0018 (3) | 0.0050 (3) | −0.0045 (3) |
O4_9 | 0.0196 (3) | 0.0187 (3) | 0.0142 (3) | −0.0044 (3) | 0.0055 (3) | −0.0029 (3) |
O5_9 | 0.0198 (4) | 0.0282 (4) | 0.0177 (4) | −0.0091 (3) | 0.0074 (3) | −0.0101 (3) |
C1_9 | 0.0195 (5) | 0.0186 (5) | 0.0236 (5) | −0.0067 (4) | 0.0067 (4) | −0.0037 (4) |
C2_9 | 0.0148 (5) | 0.0235 (5) | 0.0233 (5) | −0.0051 (4) | 0.0029 (4) | −0.0057 (4) |
C3_9 | 0.0243 (5) | 0.0170 (5) | 0.0118 (5) | −0.0021 (4) | 0.0005 (4) | −0.0047 (4) |
C4_9 | 0.0255 (5) | 0.0135 (5) | 0.0140 (5) | 0.0014 (4) | 0.0046 (4) | −0.0045 (4) |
C5_9 | 0.0161 (6) | 0.0294 (6) | 0.0191 (6) | −0.0029 (4) | 0.0083 (4) | −0.0022 (4) |
C6_9 | 0.0219 (5) | 0.0294 (5) | 0.0185 (5) | −0.0093 (4) | 0.0093 (4) | −0.0011 (4) |
C7_9 | 0.0262 (5) | 0.0173 (5) | 0.0188 (5) | −0.0066 (4) | 0.0033 (4) | −0.0053 (4) |
C8_9 | 0.0204 (5) | 0.0208 (5) | 0.0188 (5) | −0.0077 (4) | 0.0011 (4) | −0.0057 (4) |
C9_9 | 0.0181 (5) | 0.0204 (5) | 0.0125 (5) | 0.0014 (4) | 0.0056 (4) | −0.0004 (4) |
C10_9 | 0.0203 (5) | 0.0215 (5) | 0.0115 (5) | −0.0019 (4) | 0.0038 (4) | 0.0017 (4) |
O6_4 | 0.0288 (4) | 0.0183 (4) | 0.0150 (4) | 0.0075 (3) | 0.0012 (3) | −0.0008 (3) |
O7_4 | 0.0271 (4) | 0.0167 (4) | 0.0181 (4) | 0.0065 (3) | −0.0011 (3) | −0.0006 (3) |
Fe4_4 | 0.01302 (10) | 0.01201 (11) | 0.01183 (10) | −0.00025 (5) | 0.00266 (7) | −0.00071 (5) |
O1_4 | 0.0173 (3) | 0.0164 (3) | 0.0128 (3) | −0.0027 (3) | 0.0028 (3) | −0.0012 (3) |
O2_4 | 0.0160 (3) | 0.0201 (4) | 0.0136 (3) | −0.0015 (3) | 0.0027 (3) | −0.0020 (3) |
O3_4 | 0.0173 (4) | 0.0173 (3) | 0.0167 (4) | −0.0018 (3) | 0.0050 (3) | −0.0045 (3) |
O4_4 | 0.0196 (3) | 0.0187 (3) | 0.0142 (3) | −0.0044 (3) | 0.0055 (3) | −0.0029 (3) |
O5_4 | 0.0198 (4) | 0.0282 (4) | 0.0177 (4) | −0.0091 (3) | 0.0074 (3) | −0.0101 (3) |
C1_4 | 0.0195 (5) | 0.0186 (5) | 0.0236 (5) | −0.0067 (4) | 0.0067 (4) | −0.0037 (4) |
C2_4 | 0.0148 (5) | 0.0235 (5) | 0.0233 (5) | −0.0051 (4) | 0.0029 (4) | −0.0057 (4) |
C3_4 | 0.0243 (5) | 0.0170 (5) | 0.0118 (5) | −0.0021 (4) | 0.0005 (4) | −0.0047 (4) |
C4_4 | 0.0255 (5) | 0.0135 (5) | 0.0140 (5) | 0.0014 (4) | 0.0046 (4) | −0.0045 (4) |
C5_4 | 0.0161 (6) | 0.0294 (6) | 0.0191 (6) | −0.0029 (4) | 0.0083 (4) | −0.0022 (4) |
C6_4 | 0.0219 (5) | 0.0294 (5) | 0.0185 (5) | −0.0093 (4) | 0.0093 (4) | −0.0011 (4) |
C7_4 | 0.0262 (5) | 0.0173 (5) | 0.0188 (5) | −0.0066 (4) | 0.0033 (4) | −0.0053 (4) |
C8_4 | 0.0204 (5) | 0.0208 (5) | 0.0188 (5) | −0.0077 (4) | 0.0011 (4) | −0.0057 (4) |
C9_4 | 0.0181 (5) | 0.0204 (5) | 0.0125 (5) | 0.0014 (4) | 0.0056 (4) | −0.0004 (4) |
C10_4 | 0.0203 (5) | 0.0215 (5) | 0.0115 (5) | −0.0019 (4) | 0.0038 (4) | 0.0017 (4) |
O6_5 | 0.0288 (4) | 0.0183 (4) | 0.0150 (4) | 0.0075 (3) | 0.0012 (3) | −0.0008 (3) |
O7_5 | 0.0271 (4) | 0.0167 (4) | 0.0181 (4) | 0.0065 (3) | −0.0011 (3) | −0.0006 (3) |
Fe5_5 | 0.01302 (10) | 0.01201 (11) | 0.01183 (10) | −0.00025 (5) | 0.00266 (7) | −0.00071 (5) |
O1_5 | 0.0173 (3) | 0.0164 (3) | 0.0128 (3) | −0.0027 (3) | 0.0028 (3) | −0.0012 (3) |
O2_5 | 0.0160 (3) | 0.0201 (4) | 0.0136 (3) | −0.0015 (3) | 0.0027 (3) | −0.0020 (3) |
O3_5 | 0.0173 (4) | 0.0173 (3) | 0.0167 (4) | −0.0018 (3) | 0.0050 (3) | −0.0045 (3) |
O4_5 | 0.0196 (3) | 0.0187 (3) | 0.0142 (3) | −0.0044 (3) | 0.0055 (3) | −0.0029 (3) |
O5_5 | 0.0198 (4) | 0.0282 (4) | 0.0177 (4) | −0.0091 (3) | 0.0074 (3) | −0.0101 (3) |
C1_5 | 0.0195 (5) | 0.0186 (5) | 0.0236 (5) | −0.0067 (4) | 0.0067 (4) | −0.0037 (4) |
C2_5 | 0.0148 (5) | 0.0235 (5) | 0.0233 (5) | −0.0051 (4) | 0.0029 (4) | −0.0057 (4) |
C3_5 | 0.0243 (5) | 0.0170 (5) | 0.0118 (5) | −0.0021 (4) | 0.0005 (4) | −0.0047 (4) |
C4_5 | 0.0255 (5) | 0.0135 (5) | 0.0140 (5) | 0.0014 (4) | 0.0046 (4) | −0.0045 (4) |
C5_5 | 0.0161 (6) | 0.0294 (6) | 0.0191 (6) | −0.0029 (4) | 0.0083 (4) | −0.0022 (4) |
C6_5 | 0.0219 (5) | 0.0294 (5) | 0.0185 (5) | −0.0093 (4) | 0.0093 (4) | −0.0011 (4) |
C7_5 | 0.0262 (5) | 0.0173 (5) | 0.0188 (5) | −0.0066 (4) | 0.0033 (4) | −0.0053 (4) |
C8_5 | 0.0204 (5) | 0.0208 (5) | 0.0188 (5) | −0.0077 (4) | 0.0011 (4) | −0.0057 (4) |
C9_5 | 0.0181 (5) | 0.0204 (5) | 0.0125 (5) | 0.0014 (4) | 0.0056 (4) | −0.0004 (4) |
C10_5 | 0.0203 (5) | 0.0215 (5) | 0.0115 (5) | −0.0019 (4) | 0.0038 (4) | 0.0017 (4) |
O6_6 | 0.0288 (4) | 0.0183 (4) | 0.0150 (4) | 0.0075 (3) | 0.0012 (3) | −0.0008 (3) |
O7_6 | 0.0271 (4) | 0.0167 (4) | 0.0181 (4) | 0.0065 (3) | −0.0011 (3) | −0.0006 (3) |
Fe6_6 | 0.01302 (10) | 0.01201 (11) | 0.01183 (10) | −0.00025 (5) | 0.00266 (7) | −0.00071 (5) |
O1_6 | 0.0173 (3) | 0.0164 (3) | 0.0128 (3) | −0.0027 (3) | 0.0028 (3) | −0.0012 (3) |
O2_6 | 0.0160 (3) | 0.0201 (4) | 0.0136 (3) | −0.0015 (3) | 0.0027 (3) | −0.0020 (3) |
O3_6 | 0.0173 (4) | 0.0173 (3) | 0.0167 (4) | −0.0018 (3) | 0.0050 (3) | −0.0045 (3) |
O4_6 | 0.0196 (3) | 0.0187 (3) | 0.0142 (3) | −0.0044 (3) | 0.0055 (3) | −0.0029 (3) |
O5_6 | 0.0198 (4) | 0.0282 (4) | 0.0177 (4) | −0.0091 (3) | 0.0074 (3) | −0.0101 (3) |
C1_6 | 0.0195 (5) | 0.0186 (5) | 0.0236 (5) | −0.0067 (4) | 0.0067 (4) | −0.0037 (4) |
C2_6 | 0.0148 (5) | 0.0235 (5) | 0.0233 (5) | −0.0051 (4) | 0.0029 (4) | −0.0057 (4) |
C3_6 | 0.0243 (5) | 0.0170 (5) | 0.0118 (5) | −0.0021 (4) | 0.0005 (4) | −0.0047 (4) |
C4_6 | 0.0255 (5) | 0.0135 (5) | 0.0140 (5) | 0.0014 (4) | 0.0046 (4) | −0.0045 (4) |
C5_6 | 0.0161 (6) | 0.0294 (6) | 0.0191 (6) | −0.0029 (4) | 0.0083 (4) | −0.0022 (4) |
C6_6 | 0.0219 (5) | 0.0294 (5) | 0.0185 (5) | −0.0093 (4) | 0.0093 (4) | −0.0011 (4) |
C7_6 | 0.0262 (5) | 0.0173 (5) | 0.0188 (5) | −0.0066 (4) | 0.0033 (4) | −0.0053 (4) |
C8_6 | 0.0204 (5) | 0.0208 (5) | 0.0188 (5) | −0.0077 (4) | 0.0011 (4) | −0.0057 (4) |
C9_6 | 0.0181 (5) | 0.0204 (5) | 0.0125 (5) | 0.0014 (4) | 0.0056 (4) | −0.0004 (4) |
C10_6 | 0.0203 (5) | 0.0215 (5) | 0.0115 (5) | −0.0019 (4) | 0.0038 (4) | 0.0017 (4) |
O6_7 | 0.0288 (4) | 0.0183 (4) | 0.0150 (4) | 0.0075 (3) | 0.0012 (3) | −0.0008 (3) |
O7_7 | 0.0271 (4) | 0.0167 (4) | 0.0181 (4) | 0.0065 (3) | −0.0011 (3) | −0.0006 (3) |
Fe7_7 | 0.01302 (10) | 0.01201 (11) | 0.01183 (10) | −0.00025 (5) | 0.00266 (7) | −0.00071 (5) |
O1_7 | 0.0173 (3) | 0.0164 (3) | 0.0128 (3) | −0.0027 (3) | 0.0028 (3) | −0.0012 (3) |
O2_7 | 0.0160 (3) | 0.0201 (4) | 0.0136 (3) | −0.0015 (3) | 0.0027 (3) | −0.0020 (3) |
O3_7 | 0.0173 (4) | 0.0173 (3) | 0.0167 (4) | −0.0018 (3) | 0.0050 (3) | −0.0045 (3) |
O4_7 | 0.0196 (3) | 0.0187 (3) | 0.0142 (3) | −0.0044 (3) | 0.0055 (3) | −0.0029 (3) |
O5_7 | 0.0198 (4) | 0.0282 (4) | 0.0177 (4) | −0.0091 (3) | 0.0074 (3) | −0.0101 (3) |
C1_7 | 0.0195 (5) | 0.0186 (5) | 0.0236 (5) | −0.0067 (4) | 0.0067 (4) | −0.0037 (4) |
C2_7 | 0.0148 (5) | 0.0235 (5) | 0.0233 (5) | −0.0051 (4) | 0.0029 (4) | −0.0057 (4) |
C3_7 | 0.0243 (5) | 0.0170 (5) | 0.0118 (5) | −0.0021 (4) | 0.0005 (4) | −0.0047 (4) |
C4_7 | 0.0255 (5) | 0.0135 (5) | 0.0140 (5) | 0.0014 (4) | 0.0046 (4) | −0.0045 (4) |
C5_7 | 0.0161 (6) | 0.0294 (6) | 0.0191 (6) | −0.0029 (4) | 0.0083 (4) | −0.0022 (4) |
C6_7 | 0.0219 (5) | 0.0294 (5) | 0.0185 (5) | −0.0093 (4) | 0.0093 (4) | −0.0011 (4) |
C7_7 | 0.0262 (5) | 0.0173 (5) | 0.0188 (5) | −0.0066 (4) | 0.0033 (4) | −0.0053 (4) |
C8_7 | 0.0204 (5) | 0.0208 (5) | 0.0188 (5) | −0.0077 (4) | 0.0011 (4) | −0.0057 (4) |
C9_7 | 0.0181 (5) | 0.0204 (5) | 0.0125 (5) | 0.0014 (4) | 0.0056 (4) | −0.0004 (4) |
C10_7 | 0.0203 (5) | 0.0215 (5) | 0.0115 (5) | −0.0019 (4) | 0.0038 (4) | 0.0017 (4) |
Fe10_10 | 0.01302 (10) | 0.01201 (11) | 0.01183 (10) | −0.00025 (5) | 0.00266 (7) | −0.00071 (5) |
O1_10 | 0.0173 (3) | 0.0164 (3) | 0.0128 (3) | −0.0027 (3) | 0.0028 (3) | −0.0012 (3) |
O2_10 | 0.0160 (3) | 0.0201 (4) | 0.0136 (3) | −0.0015 (3) | 0.0027 (3) | −0.0020 (3) |
O3_10 | 0.0173 (4) | 0.0173 (3) | 0.0167 (4) | −0.0018 (3) | 0.0050 (3) | −0.0045 (3) |
O4_10 | 0.0196 (3) | 0.0187 (3) | 0.0142 (3) | −0.0044 (3) | 0.0055 (3) | −0.0029 (3) |
O5_10 | 0.0198 (4) | 0.0282 (4) | 0.0177 (4) | −0.0091 (3) | 0.0074 (3) | −0.0101 (3) |
C1_10 | 0.0195 (5) | 0.0186 (5) | 0.0236 (5) | −0.0067 (4) | 0.0067 (4) | −0.0037 (4) |
C2_10 | 0.0148 (5) | 0.0235 (5) | 0.0233 (5) | −0.0051 (4) | 0.0029 (4) | −0.0057 (4) |
C3_10 | 0.0243 (5) | 0.0170 (5) | 0.0118 (5) | −0.0021 (4) | 0.0005 (4) | −0.0047 (4) |
C4_10 | 0.0255 (5) | 0.0135 (5) | 0.0140 (5) | 0.0014 (4) | 0.0046 (4) | −0.0045 (4) |
C5_10 | 0.0161 (6) | 0.0294 (6) | 0.0191 (6) | −0.0029 (4) | 0.0083 (4) | −0.0022 (4) |
C6_10 | 0.0219 (5) | 0.0294 (5) | 0.0185 (5) | −0.0093 (4) | 0.0093 (4) | −0.0011 (4) |
C7_10 | 0.0262 (5) | 0.0173 (5) | 0.0188 (5) | −0.0066 (4) | 0.0033 (4) | −0.0053 (4) |
C8_10 | 0.0204 (5) | 0.0208 (5) | 0.0188 (5) | −0.0077 (4) | 0.0011 (4) | −0.0057 (4) |
C9_10 | 0.0181 (5) | 0.0204 (5) | 0.0125 (5) | 0.0014 (4) | 0.0056 (4) | −0.0004 (4) |
C10_10 | 0.0203 (5) | 0.0215 (5) | 0.0115 (5) | −0.0019 (4) | 0.0038 (4) | 0.0017 (4) |
O6_8 | 0.0288 (4) | 0.0183 (4) | 0.0150 (4) | 0.0075 (3) | 0.0012 (3) | −0.0008 (3) |
O7_8 | 0.0271 (4) | 0.0167 (4) | 0.0181 (4) | 0.0065 (3) | −0.0011 (3) | −0.0006 (3) |
Fe8_8 | 0.01302 (10) | 0.01201 (11) | 0.01183 (10) | −0.00025 (5) | 0.00266 (7) | −0.00071 (5) |
O1_8 | 0.0173 (3) | 0.0164 (3) | 0.0128 (3) | −0.0027 (3) | 0.0028 (3) | −0.0012 (3) |
O2_8 | 0.0160 (3) | 0.0201 (4) | 0.0136 (3) | −0.0015 (3) | 0.0027 (3) | −0.0020 (3) |
O3_8 | 0.0173 (4) | 0.0173 (3) | 0.0167 (4) | −0.0018 (3) | 0.0050 (3) | −0.0045 (3) |
O4_8 | 0.0196 (3) | 0.0187 (3) | 0.0142 (3) | −0.0044 (3) | 0.0055 (3) | −0.0029 (3) |
O5_8 | 0.0198 (4) | 0.0282 (4) | 0.0177 (4) | −0.0091 (3) | 0.0074 (3) | −0.0101 (3) |
C1_8 | 0.0195 (5) | 0.0186 (5) | 0.0236 (5) | −0.0067 (4) | 0.0067 (4) | −0.0037 (4) |
C2_8 | 0.0148 (5) | 0.0235 (5) | 0.0233 (5) | −0.0051 (4) | 0.0029 (4) | −0.0057 (4) |
C3_8 | 0.0243 (5) | 0.0170 (5) | 0.0118 (5) | −0.0021 (4) | 0.0005 (4) | −0.0047 (4) |
C4_8 | 0.0255 (5) | 0.0135 (5) | 0.0140 (5) | 0.0014 (4) | 0.0046 (4) | −0.0045 (4) |
C5_8 | 0.0161 (6) | 0.0294 (6) | 0.0191 (6) | −0.0029 (4) | 0.0083 (4) | −0.0022 (4) |
C6_8 | 0.0219 (5) | 0.0294 (5) | 0.0185 (5) | −0.0093 (4) | 0.0093 (4) | −0.0011 (4) |
C7_8 | 0.0262 (5) | 0.0173 (5) | 0.0188 (5) | −0.0066 (4) | 0.0033 (4) | −0.0053 (4) |
C8_8 | 0.0204 (5) | 0.0208 (5) | 0.0188 (5) | −0.0077 (4) | 0.0011 (4) | −0.0057 (4) |
C9_8 | 0.0181 (5) | 0.0204 (5) | 0.0125 (5) | 0.0014 (4) | 0.0056 (4) | −0.0004 (4) |
C10_8 | 0.0203 (5) | 0.0215 (5) | 0.0115 (5) | −0.0019 (4) | 0.0038 (4) | 0.0017 (4) |
N1_11 | 0.0197 (4) | 0.0153 (4) | 0.0189 (4) | 0.0021 (3) | 0.0063 (3) | −0.0014 (3) |
O8_11 | 0.0427 (5) | 0.0193 (4) | 0.0402 (5) | −0.0028 (3) | 0.0182 (4) | 0.0086 (3) |
O9_11 | 0.0275 (4) | 0.0283 (4) | 0.0195 (4) | −0.0059 (3) | −0.0026 (3) | −0.0016 (3) |
O10_11 | 0.0256 (4) | 0.0269 (4) | 0.0247 (4) | 0.0037 (3) | −0.0057 (3) | −0.0006 (3) |
N2_12 | 0.0194 (4) | 0.0145 (4) | 0.0142 (4) | 0.0011 (3) | 0.0046 (3) | −0.0014 (3) |
O8_12 | 0.0325 (4) | 0.0192 (4) | 0.0226 (4) | −0.0073 (3) | 0.0059 (3) | 0.0040 (3) |
O9_12 | 0.0290 (4) | 0.0215 (4) | 0.0223 (4) | −0.0098 (3) | −0.0018 (3) | 0.0031 (3) |
O10_12 | 0.0228 (4) | 0.0287 (4) | 0.0251 (4) | 0.0065 (3) | −0.0047 (3) | 0.0003 (3) |
N3_13 | 0.0197 (4) | 0.0153 (4) | 0.0189 (4) | 0.0021 (3) | 0.0063 (3) | −0.0014 (3) |
O8_13 | 0.0427 (5) | 0.0193 (4) | 0.0402 (5) | −0.0028 (3) | 0.0182 (4) | 0.0086 (3) |
O9_13 | 0.0275 (4) | 0.0283 (4) | 0.0195 (4) | −0.0059 (3) | −0.0026 (3) | −0.0016 (3) |
O10_13 | 0.0256 (4) | 0.0269 (4) | 0.0247 (4) | 0.0037 (3) | −0.0057 (3) | −0.0006 (3) |
N4_14 | 0.0197 (4) | 0.0153 (4) | 0.0189 (4) | 0.0021 (3) | 0.0063 (3) | −0.0014 (3) |
O8_14 | 0.0427 (5) | 0.0193 (4) | 0.0402 (5) | −0.0028 (3) | 0.0182 (4) | 0.0086 (3) |
O9_14 | 0.0275 (4) | 0.0283 (4) | 0.0195 (4) | −0.0059 (3) | −0.0026 (3) | −0.0016 (3) |
O10_14 | 0.0256 (4) | 0.0269 (4) | 0.0247 (4) | 0.0037 (3) | −0.0057 (3) | −0.0006 (3) |
N5_15 | 0.0194 (4) | 0.0145 (4) | 0.0142 (4) | 0.0011 (3) | 0.0046 (3) | −0.0014 (3) |
O8_15 | 0.0325 (4) | 0.0192 (4) | 0.0226 (4) | −0.0073 (3) | 0.0059 (3) | 0.0040 (3) |
O9_15 | 0.0290 (4) | 0.0215 (4) | 0.0223 (4) | −0.0098 (3) | −0.0018 (3) | 0.0031 (3) |
O10_15 | 0.0228 (4) | 0.0287 (4) | 0.0251 (4) | 0.0065 (3) | −0.0047 (3) | 0.0003 (3) |
N6_16 | 0.0197 (4) | 0.0153 (4) | 0.0189 (4) | 0.0021 (3) | 0.0063 (3) | −0.0014 (3) |
O8_16 | 0.0427 (5) | 0.0193 (4) | 0.0402 (5) | −0.0028 (3) | 0.0182 (4) | 0.0086 (3) |
O9_16 | 0.0275 (4) | 0.0283 (4) | 0.0195 (4) | −0.0059 (3) | −0.0026 (3) | −0.0016 (3) |
O10_16 | 0.0256 (4) | 0.0269 (4) | 0.0247 (4) | 0.0037 (3) | −0.0057 (3) | −0.0006 (3) |
N7_17 | 0.0194 (4) | 0.0145 (4) | 0.0142 (4) | 0.0011 (3) | 0.0046 (3) | −0.0014 (3) |
O8_17 | 0.0325 (4) | 0.0192 (4) | 0.0226 (4) | −0.0073 (3) | 0.0059 (3) | 0.0040 (3) |
O9_17 | 0.0290 (4) | 0.0215 (4) | 0.0223 (4) | −0.0098 (3) | −0.0018 (3) | 0.0031 (3) |
O10_17 | 0.0228 (4) | 0.0287 (4) | 0.0251 (4) | 0.0065 (3) | −0.0047 (3) | 0.0003 (3) |
N8_18 | 0.0194 (4) | 0.0145 (4) | 0.0142 (4) | 0.0011 (3) | 0.0046 (3) | −0.0014 (3) |
O8_18 | 0.0325 (4) | 0.0192 (4) | 0.0226 (4) | −0.0073 (3) | 0.0059 (3) | 0.0040 (3) |
O9_18 | 0.0290 (4) | 0.0215 (4) | 0.0223 (4) | −0.0098 (3) | −0.0018 (3) | 0.0031 (3) |
O10_18 | 0.0228 (4) | 0.0287 (4) | 0.0251 (4) | 0.0065 (3) | −0.0047 (3) | 0.0003 (3) |
N9_19 | 0.0194 (4) | 0.0145 (4) | 0.0142 (4) | 0.0011 (3) | 0.0046 (3) | −0.0014 (3) |
O8_19 | 0.0325 (4) | 0.0192 (4) | 0.0226 (4) | −0.0073 (3) | 0.0059 (3) | 0.0040 (3) |
O9_19 | 0.0290 (4) | 0.0215 (4) | 0.0223 (4) | −0.0098 (3) | −0.0018 (3) | 0.0031 (3) |
O10_19 | 0.0228 (4) | 0.0287 (4) | 0.0251 (4) | 0.0065 (3) | −0.0047 (3) | 0.0003 (3) |
N10_20 | 0.0197 (4) | 0.0153 (4) | 0.0189 (4) | 0.0021 (3) | 0.0063 (3) | −0.0014 (3) |
O8_20 | 0.0427 (5) | 0.0193 (4) | 0.0402 (5) | −0.0028 (3) | 0.0182 (4) | 0.0086 (3) |
O9_20 | 0.0275 (4) | 0.0283 (4) | 0.0195 (4) | −0.0059 (3) | −0.0026 (3) | −0.0016 (3) |
O10_20 | 0.0256 (4) | 0.0269 (4) | 0.0247 (4) | 0.0037 (3) | −0.0057 (3) | −0.0006 (3) |
N11_21 | 0.0194 (4) | 0.0145 (4) | 0.0142 (4) | 0.0011 (3) | 0.0046 (3) | −0.0014 (3) |
O8_21 | 0.0325 (4) | 0.0192 (4) | 0.0226 (4) | −0.0073 (3) | 0.0059 (3) | 0.0040 (3) |
O9_21 | 0.0290 (4) | 0.0215 (4) | 0.0223 (4) | −0.0098 (3) | −0.0018 (3) | 0.0031 (3) |
O10_21 | 0.0228 (4) | 0.0287 (4) | 0.0251 (4) | 0.0065 (3) | −0.0047 (3) | 0.0003 (3) |
N12_22 | 0.0194 (4) | 0.0145 (4) | 0.0142 (4) | 0.0011 (3) | 0.0046 (3) | −0.0014 (3) |
O8_22 | 0.0325 (4) | 0.0192 (4) | 0.0226 (4) | −0.0073 (3) | 0.0059 (3) | 0.0040 (3) |
O9_22 | 0.0290 (4) | 0.0215 (4) | 0.0223 (4) | −0.0098 (3) | −0.0018 (3) | 0.0031 (3) |
O10_22 | 0.0228 (4) | 0.0287 (4) | 0.0251 (4) | 0.0065 (3) | −0.0047 (3) | 0.0003 (3) |
N13_23 | 0.0197 (4) | 0.0153 (4) | 0.0189 (4) | 0.0021 (3) | 0.0063 (3) | −0.0014 (3) |
O8_23 | 0.0427 (5) | 0.0193 (4) | 0.0402 (5) | −0.0028 (3) | 0.0182 (4) | 0.0086 (3) |
O9_23 | 0.0275 (4) | 0.0283 (4) | 0.0195 (4) | −0.0059 (3) | −0.0026 (3) | −0.0016 (3) |
O10_23 | 0.0256 (4) | 0.0269 (4) | 0.0247 (4) | 0.0037 (3) | −0.0057 (3) | −0.0006 (3) |
N14_24 | 0.0194 (4) | 0.0145 (4) | 0.0142 (4) | 0.0011 (3) | 0.0046 (3) | −0.0014 (3) |
O8_24 | 0.0325 (4) | 0.0192 (4) | 0.0226 (4) | −0.0073 (3) | 0.0059 (3) | 0.0040 (3) |
O9_24 | 0.0290 (4) | 0.0215 (4) | 0.0223 (4) | −0.0098 (3) | −0.0018 (3) | 0.0031 (3) |
O10_24 | 0.0228 (4) | 0.0287 (4) | 0.0251 (4) | 0.0065 (3) | −0.0047 (3) | 0.0003 (3) |
N15_25 | 0.0197 (4) | 0.0153 (4) | 0.0189 (4) | 0.0021 (3) | 0.0063 (3) | −0.0014 (3) |
O8_25 | 0.0427 (5) | 0.0193 (4) | 0.0402 (5) | −0.0028 (3) | 0.0182 (4) | 0.0086 (3) |
O9_25 | 0.0275 (4) | 0.0283 (4) | 0.0195 (4) | −0.0059 (3) | −0.0026 (3) | −0.0016 (3) |
O10_25 | 0.0256 (4) | 0.0269 (4) | 0.0247 (4) | 0.0037 (3) | −0.0057 (3) | −0.0006 (3) |
N16_26 | 0.0197 (4) | 0.0153 (4) | 0.0189 (4) | 0.0021 (3) | 0.0063 (3) | −0.0014 (3) |
O8_26 | 0.0427 (5) | 0.0193 (4) | 0.0402 (5) | −0.0028 (3) | 0.0182 (4) | 0.0086 (3) |
O9_26 | 0.0275 (4) | 0.0283 (4) | 0.0195 (4) | −0.0059 (3) | −0.0026 (3) | −0.0016 (3) |
O10_26 | 0.0256 (4) | 0.0269 (4) | 0.0247 (4) | 0.0037 (3) | −0.0057 (3) | −0.0006 (3) |
O6_1—Fe1_1 | 2.061 (4) | C2_5—H22_5 | 0.9900 |
O6_1—H1W_1 | 0.822 (10) | C3_5—C4_5 | 1.489 (7) |
O6_1—H2W_1 | 0.818 (10) | C3_5—H31_5 | 0.9900 |
O7_1—Fe1_1 | 2.090 (4) | C3_5—H32_5 | 0.9900 |
O7_1—H3W_1 | 0.818 (10) | C4_5—H41_5 | 0.9900 |
O7_1—H4W_1 | 0.814 (10) | C4_5—H42_5 | 0.9900 |
Fe1_1—O5_1 | 2.181 (4) | C5_5—C6_5 | 1.529 (9) |
Fe1_1—O4_1 | 2.226 (4) | C5_5—H51_5 | 0.9900 |
Fe1_1—O3_1 | 2.227 (3) | C5_5—H52_5 | 0.9900 |
Fe1_1—O1_1 | 2.240 (4) | C6_5—H61_5 | 0.9900 |
Fe1_1—O2_1 | 2.240 (4) | C6_5—H62_5 | 0.9900 |
O1_1—C1_1 | 1.439 (7) | C7_5—C8_5 | 1.505 (7) |
O1_1—C10_1 | 1.441 (6) | C7_5—H71_5 | 0.9900 |
O2_1—C3_1 | 1.430 (6) | C7_5—H72_5 | 0.9900 |
O2_1—C2_1 | 1.438 (6) | C8_5—H81_5 | 0.9900 |
O3_1—C5_1 | 1.442 (6) | C8_5—H82_5 | 0.9900 |
O3_1—C4_1 | 1.443 (7) | C9_5—C10_5 | 1.512 (8) |
O4_1—C7_1 | 1.429 (6) | C9_5—H91_5 | 0.9900 |
O4_1—C6_1 | 1.439 (6) | C9_5—H92_5 | 0.9900 |
O5_1—C8_1 | 1.420 (6) | C10_5—H101_5 | 0.9900 |
O5_1—C9_1 | 1.433 (6) | C10_5—H102_5 | 0.9900 |
C1_1—C2_1 | 1.508 (7) | O6_6—Fe6_6 | 2.058 (4) |
C1_1—H11_1 | 0.9900 | O6_6—H1W_6 | 0.819 (10) |
C1_1—H12_1 | 0.9900 | O6_6—H2W_6 | 0.819 (10) |
C2_1—H21_1 | 0.9900 | O7_6—Fe6_6 | 2.078 (4) |
C2_1—H22_1 | 0.9900 | O7_6—H3W_6 | 0.823 (10) |
C3_1—C4_1 | 1.515 (7) | O7_6—H4W_6 | 0.823 (10) |
C3_1—H31_1 | 0.9900 | Fe6_6—O5_6 | 2.194 (4) |
C3_1—H32_1 | 0.9900 | Fe6_6—O3_6 | 2.227 (3) |
C4_1—H41_1 | 0.9900 | Fe6_6—O4_6 | 2.239 (4) |
C4_1—H42_1 | 0.9900 | Fe6_6—O2_6 | 2.251 (4) |
C5_1—C6_1 | 1.476 (8) | Fe6_6—O1_6 | 2.254 (4) |
C5_1—H51_1 | 0.9900 | O1_6—C1_6 | 1.427 (7) |
C5_1—H52_1 | 0.9900 | O1_6—C10_6 | 1.450 (6) |
C6_1—H61_1 | 0.9900 | O2_6—C2_6 | 1.428 (6) |
C6_1—H62_1 | 0.9900 | O2_6—C3_6 | 1.431 (6) |
C7_1—C8_1 | 1.503 (7) | O3_6—C5_6 | 1.437 (6) |
C7_1—H71_1 | 0.9900 | O3_6—C4_6 | 1.451 (7) |
C7_1—H72_1 | 0.9900 | O4_6—C7_6 | 1.428 (7) |
C8_1—H81_1 | 0.9900 | O4_6—C6_6 | 1.454 (6) |
C8_1—H82_1 | 0.9900 | O5_6—C8_6 | 1.426 (6) |
C9_1—C10_1 | 1.504 (8) | O5_6—C9_6 | 1.435 (6) |
C9_1—H91_1 | 0.9900 | C1_6—C2_6 | 1.514 (8) |
C9_1—H92_1 | 0.9900 | C1_6—H11_6 | 0.9900 |
C10_1—H101_1 | 0.9900 | C1_6—H12_6 | 0.9900 |
C10_1—H102_1 | 0.9900 | C2_6—H21_6 | 0.9900 |
O6_2—Fe2_2 | 2.076 (4) | C2_6—H22_6 | 0.9900 |
O6_2—H1W_2 | 0.819 (10) | C3_6—C4_6 | 1.505 (7) |
O6_2—H2W_2 | 0.820 (10) | C3_6—H31_6 | 0.9900 |
O7_2—Fe2_2 | 2.039 (4) | C3_6—H32_6 | 0.9900 |
O7_2—H3W_2 | 0.817 (10) | C4_6—H41_6 | 0.9900 |
O7_2—H4W_2 | 0.818 (10) | C4_6—H42_6 | 0.9900 |
Fe2_2—O2_2 | 2.190 (4) | C5_6—C6_6 | 1.488 (9) |
Fe2_2—O5_2 | 2.191 (4) | C5_6—H51_6 | 0.9900 |
Fe2_2—O4_2 | 2.240 (4) | C5_6—H52_6 | 0.9900 |
Fe2_2—O3_2 | 2.255 (3) | C6_6—H61_6 | 0.9900 |
Fe2_2—O1_2 | 2.257 (4) | C6_6—H62_6 | 0.9900 |
O1_2—C1_2 | 1.433 (7) | C7_6—C8_6 | 1.504 (7) |
O1_2—C10_2 | 1.435 (6) | C7_6—H71_6 | 0.9900 |
O2_2—C2_2 | 1.434 (6) | C7_6—H72_6 | 0.9900 |
O2_2—C3_2 | 1.452 (6) | C8_6—H81_6 | 0.9900 |
O3_2—C4_2 | 1.441 (7) | C8_6—H82_6 | 0.9900 |
O3_2—C5_2 | 1.442 (6) | C9_6—C10_6 | 1.487 (8) |
O4_2—C6_2 | 1.446 (6) | C9_6—H91_6 | 0.9900 |
O4_2—C7_2 | 1.456 (6) | C9_6—H92_6 | 0.9900 |
O5_2—C9_2 | 1.416 (6) | C10_6—H101_6 | 0.9900 |
O5_2—C8_2 | 1.430 (6) | C10_6—H102_6 | 0.9900 |
C1_2—C2_2 | 1.495 (7) | O6_7—Fe7_7 | 2.065 (4) |
C1_2—H11_2 | 0.9900 | O6_7—Fe10_10 | 2.218 (6) |
C1_2—H12_2 | 0.9900 | O6_7—H1W_7 | 0.824 (10) |
C2_2—H21_2 | 0.9900 | O6_7—H2W_7 | 0.816 (10) |
C2_2—H22_2 | 0.9900 | O7_7—Fe10_10 | 1.908 (6) |
C3_2—C4_2 | 1.484 (7) | O7_7—Fe7_7 | 2.055 (4) |
C3_2—H31_2 | 0.9900 | O7_7—H3W_7 | 0.820 (10) |
C3_2—H32_2 | 0.9900 | O7_7—H4W_7 | 0.818 (10) |
C4_2—H41_2 | 0.9900 | Fe7_7—O5_7 | 2.196 (3) |
C4_2—H42_2 | 0.9900 | Fe7_7—O2_7 | 2.218 (4) |
C5_2—C6_2 | 1.533 (8) | Fe7_7—O4_7 | 2.233 (4) |
C5_2—H51_2 | 0.9900 | Fe7_7—O3_7 | 2.245 (3) |
C5_2—H52_2 | 0.9900 | Fe7_7—O1_7 | 2.262 (3) |
C6_2—H61_2 | 0.9900 | O1_7—C1_7 | 1.433 (6) |
C6_2—H62_2 | 0.9900 | O1_7—C10_7 | 1.433 (5) |
C7_2—C8_2 | 1.514 (7) | O1_7—H5B_10 | 1.4372 |
C7_2—H71_2 | 0.9900 | O2_7—C2_7 | 1.433 (6) |
C7_2—H72_2 | 0.9900 | O2_7—C3_7 | 1.448 (5) |
C8_2—H81_2 | 0.9900 | O3_7—C5_7 | 1.427 (6) |
C8_2—H82_2 | 0.9900 | O3_7—C4_7 | 1.433 (6) |
C9_2—C10_2 | 1.495 (8) | O3_7—H10A_10 | 1.3622 |
C9_2—H91_2 | 0.9900 | O4_7—C6_7 | 1.442 (6) |
C9_2—H92_2 | 0.9900 | O4_7—C7_7 | 1.452 (6) |
C10_2—H101_2 | 0.9900 | O5_7—C9_7 | 1.425 (6) |
C10_2—H102_2 | 0.9900 | O5_7—C8_7 | 1.437 (6) |
O6_3—Fe3_3 | 2.048 (4) | C1_7—C2_7 | 1.485 (7) |
O6_3—Fe9_9 | 2.054 (8) | C1_7—H11_7 | 0.9900 |
O6_3—H1W_3 | 0.821 (10) | C1_7—H12_7 | 0.9900 |
O6_3—H2W_3 | 0.817 (10) | C1_7—H6A_10 | 0.9867 |
O7_3—Fe9_9 | 2.087 (8) | C1_7—H6B_10 | 1.2655 |
O7_3—Fe3_3 | 2.088 (4) | C2_7—H21_7 | 0.9900 |
O7_3—H3W_3 | 0.828 (10) | C2_7—H22_7 | 0.9900 |
O7_3—H4W_3 | 0.821 (10) | C2_7—H7B_10 | 1.0023 |
Fe3_3—O5_3 | 2.193 (3) | C3_7—C4_7 | 1.505 (7) |
Fe3_3—O3_3 | 2.232 (3) | C3_7—H31_7 | 0.9900 |
Fe3_3—O4_3 | 2.233 (4) | C3_7—H32_7 | 0.9900 |
Fe3_3—O1_3 | 2.247 (4) | C3_7—H8A_10 | 0.9422 |
Fe3_3—O2_3 | 2.254 (4) | C3_7—H8B_10 | 1.1151 |
O1_3—C1_3 | 1.433 (6) | C4_7—H41_7 | 0.9900 |
O1_3—C10_3 | 1.435 (5) | C4_7—H42_7 | 0.9900 |
O2_3—C2_3 | 1.428 (6) | C4_7—H9A_10 | 1.0295 |
O2_3—C3_3 | 1.439 (6) | C4_7—H9B_10 | 0.8192 |
O2_3—H7B_9 | 1.4667 | C5_7—C6_7 | 1.539 (7) |
O3_3—C5_3 | 1.439 (6) | C5_7—H51_7 | 0.9900 |
O3_3—C4_3 | 1.449 (6) | C5_7—H52_7 | 0.9900 |
O4_3—C6_3 | 1.433 (6) | C5_7—H10B_10 | 0.7933 |
O4_3—C7_3 | 1.435 (6) | C6_7—H61_7 | 0.9900 |
O5_3—C9_3 | 1.417 (6) | C6_7—H62_7 | 0.9900 |
O5_3—C8_3 | 1.436 (6) | C6_7—H1A_10 | 1.0402 |
C1_3—C2_3 | 1.511 (7) | C6_7—H1B_10 | 1.1755 |
C1_3—H11_3 | 0.9900 | C7_7—C8_7 | 1.493 (7) |
C1_3—H12_3 | 0.9900 | C7_7—H71_7 | 0.9900 |
C1_3—H6A_9 | 1.1074 | C7_7—H72_7 | 0.9900 |
C1_3—H6B_9 | 1.0620 | C7_7—H2A_10 | 1.1412 |
C2_3—H21_3 | 0.9900 | C8_7—H81_7 | 0.9900 |
C2_3—H22_3 | 0.9900 | C8_7—H82_7 | 0.9900 |
C2_3—H7A_9 | 0.8545 | C8_7—H3A_10 | 1.4792 |
C3_3—C4_3 | 1.494 (7) | C8_7—H3B_10 | 0.9108 |
C3_3—H31_3 | 0.9900 | C9_7—C10_7 | 1.501 (7) |
C3_3—H32_3 | 0.9900 | C9_7—H91_7 | 0.9900 |
C3_3—H8A_9 | 0.9452 | C9_7—H92_7 | 0.9900 |
C3_3—H8B_9 | 1.0823 | C9_7—H4A_10 | 1.1179 |
C4_3—H41_3 | 0.9900 | C9_7—H4B_10 | 1.0560 |
C4_3—H42_3 | 0.9900 | C10_7—H101_7 | 0.9900 |
C4_3—H9A_9 | 0.8710 | C10_7—H102_7 | 0.9900 |
C4_3—H9B_9 | 1.0025 | C10_7—H5A_10 | 0.9887 |
C5_3—C6_3 | 1.512 (7) | Fe10_10—O5_10 | 2.0840 |
C5_3—H51_3 | 0.9900 | Fe10_10—O3_10 | 2.1288 |
C5_3—H52_3 | 0.9900 | Fe10_10—O2_10 | 2.1656 |
C5_3—H10A_9 | 0.9782 | Fe10_10—O1_10 | 2.1988 |
C6_3—H61_3 | 0.9900 | Fe10_10—O4_10 | 2.2172 |
C6_3—H62_3 | 0.9900 | O1_10—C10_10 | 1.3875 |
C6_3—H1A_9 | 1.3450 | O1_10—C1_10 | 1.4639 |
C6_3—H1B_9 | 0.9621 | O2_10—C3_10 | 1.3775 |
C7_3—C8_3 | 1.510 (7) | O2_10—C2_10 | 1.3949 |
C7_3—H71_3 | 0.9900 | O3_10—C4_10 | 1.4402 |
C7_3—H72_3 | 0.9900 | O3_10—C5_10 | 1.4441 |
C7_3—H2B_9 | 1.0944 | O4_10—C6_10 | 1.3933 |
C8_3—H81_3 | 0.9900 | O4_10—C7_10 | 1.4051 |
C8_3—H82_3 | 0.9900 | O5_10—C9_10 | 1.3797 |
C8_3—H3A_9 | 0.9099 | O5_10—C8_10 | 1.4120 |
C8_3—H3B_9 | 1.3699 | C1_10—C2_10 | 1.4861 |
C9_3—C10_3 | 1.502 (7) | C1_10—H1A_10 | 0.9578 |
C9_3—H91_3 | 0.9900 | C1_10—H1B_10 | 0.9721 |
C9_3—H92_3 | 0.9900 | C2_10—H2A_10 | 0.9725 |
C9_3—H4A_9 | 0.9924 | C2_10—H2B_10 | 0.9713 |
C9_3—H4B_9 | 1.2566 | C3_10—C4_10 | 1.4937 |
C10_3—H101_3 | 0.9900 | C3_10—H3A_10 | 0.9708 |
C10_3—H102_3 | 0.9900 | C3_10—H3B_10 | 0.9719 |
C10_3—H5B_9 | 0.9862 | C4_10—H4A_10 | 0.9724 |
Fe9_9—O5_9 | 2.0667 | C4_10—H4B_10 | 0.9453 |
Fe9_9—O3_9 | 2.1465 | C5_10—C6_10 | 1.4784 |
Fe9_9—O2_9 | 2.1684 | C5_10—H5A_10 | 0.9446 |
Fe9_9—O1_9 | 2.1855 | C5_10—H5B_10 | 0.9708 |
Fe9_9—O4_9 | 2.2167 | C6_10—H6A_10 | 0.9663 |
O1_9—C10_9 | 1.4144 | C6_10—H6B_10 | 0.9705 |
O1_9—C1_9 | 1.4229 | C7_10—C8_10 | 1.4911 |
O2_9—C3_9 | 1.3965 | C7_10—H7A_10 | 0.9702 |
O2_9—C2_9 | 1.4350 | C7_10—H7B_10 | 0.9675 |
O3_9—C5_9 | 1.3841 | C8_10—H8A_10 | 0.9666 |
O3_9—C4_9 | 1.4244 | C8_10—H8B_10 | 0.9646 |
O4_9—C6_9 | 1.3760 | C9_10—C10_10 | 1.4961 |
O4_9—C7_9 | 1.4258 | C9_10—H9A_10 | 0.9718 |
O5_9—C9_9 | 1.3960 | C9_10—H9B_10 | 0.9532 |
O5_9—C8_9 | 1.4271 | C10_10—H10A_10 | 0.9718 |
C1_9—C2_9 | 1.4300 | C10_10—H10B_10 | 0.9540 |
C1_9—H1A_9 | 0.9724 | O6_8—Fe8_8 | 2.085 (4) |
C1_9—H1B_9 | 0.9575 | O6_8—H1W_8 | 0.826 (10) |
C2_9—H2A_9 | 0.9716 | O6_8—H2W_8 | 0.812 (10) |
C2_9—H2B_9 | 0.9724 | O7_8—Fe8_8 | 2.027 (4) |
C3_9—C4_9 | 1.4766 | O7_8—H3W_8 | 0.824 (10) |
C3_9—H3A_9 | 0.9713 | O7_8—H4W_8 | 0.820 (10) |
C3_9—H3B_9 | 0.9712 | Fe8_8—O5_8 | 2.178 (3) |
C4_9—H4A_9 | 0.9445 | Fe8_8—O1_8 | 2.222 (4) |
C4_9—H4B_9 | 0.9728 | Fe8_8—O3_8 | 2.226 (3) |
C5_9—C6_9 | 1.5213 | Fe8_8—O2_8 | 2.227 (4) |
C5_9—H5A_9 | 0.9716 | Fe8_8—O4_8 | 2.248 (4) |
C5_9—H5B_9 | 0.9446 | O1_8—C10_8 | 1.426 (6) |
C6_9—H6A_9 | 0.9712 | O1_8—C1_8 | 1.463 (7) |
C6_9—H6B_9 | 0.9659 | O2_8—C2_8 | 1.435 (6) |
C7_9—C8_9 | 1.4089 | O2_8—C3_8 | 1.440 (6) |
C7_9—H7A_9 | 0.9673 | O3_8—C5_8 | 1.436 (6) |
C7_9—H7B_9 | 0.9712 | O3_8—C4_8 | 1.443 (7) |
C8_9—H8A_9 | 0.9641 | O4_8—C6_8 | 1.439 (6) |
C8_9—H8B_9 | 0.9675 | O4_8—C7_8 | 1.440 (6) |
C9_9—C10_9 | 1.5035 | O5_8—C9_8 | 1.423 (6) |
C9_9—H9A_9 | 0.9528 | O5_8—C8_8 | 1.424 (6) |
C9_9—H9B_9 | 0.9725 | C1_8—C2_8 | 1.496 (7) |
C10_9—H10A_9 | 0.9545 | C1_8—H11_8 | 0.9900 |
C10_9—H10B_9 | 0.9723 | C1_8—H12_8 | 0.9900 |
O6_4—Fe4_4 | 2.058 (4) | C2_8—H21_8 | 0.9900 |
O6_4—H1W_4 | 0.816 (10) | C2_8—H22_8 | 0.9900 |
O6_4—H2W_4 | 0.826 (10) | C3_8—C4_8 | 1.500 (7) |
O7_4—Fe4_4 | 2.084 (4) | C3_8—H31_8 | 0.9900 |
O7_4—H3W_4 | 0.823 (10) | C3_8—H32_8 | 0.9900 |
O7_4—H4W_4 | 0.821 (10) | C4_8—H41_8 | 0.9900 |
Fe4_4—O5_4 | 2.177 (3) | C4_8—H42_8 | 0.9900 |
Fe4_4—O2_4 | 2.220 (4) | C5_8—C6_8 | 1.496 (8) |
Fe4_4—O3_4 | 2.226 (3) | C5_8—H51_8 | 0.9900 |
Fe4_4—O4_4 | 2.230 (4) | C5_8—H52_8 | 0.9900 |
Fe4_4—O1_4 | 2.234 (4) | C6_8—H61_8 | 0.9900 |
O1_4—C10_4 | 1.433 (6) | C6_8—H62_8 | 0.9900 |
O1_4—C1_4 | 1.449 (6) | C7_8—C8_8 | 1.516 (7) |
O2_4—C3_4 | 1.423 (5) | C7_8—H71_8 | 0.9900 |
O2_4—C2_4 | 1.433 (6) | C7_8—H72_8 | 0.9900 |
O3_4—C5_4 | 1.434 (6) | C8_8—H81_8 | 0.9900 |
O3_4—C4_4 | 1.439 (6) | C8_8—H82_8 | 0.9900 |
O4_4—C7_4 | 1.422 (6) | C9_8—C10_8 | 1.521 (8) |
O4_4—C6_4 | 1.443 (6) | C9_8—H91_8 | 0.9900 |
O5_4—C8_4 | 1.419 (6) | C9_8—H92_8 | 0.9900 |
O5_4—C9_4 | 1.434 (6) | C10_8—H101_8 | 0.9900 |
C1_4—C2_4 | 1.518 (7) | C10_8—H102_8 | 0.9900 |
C1_4—H11_4 | 0.9900 | N1_11—O8_11 | 1.213 (7) |
C1_4—H12_4 | 0.9900 | N1_11—O10_11 | 1.233 (6) |
C2_4—H21_4 | 0.9900 | N1_11—O9_11 | 1.301 (6) |
C2_4—H22_4 | 0.9900 | N2_12—O8_12 | 1.232 (6) |
C3_4—C4_4 | 1.522 (7) | N2_12—O10_12 | 1.238 (5) |
C3_4—H31_4 | 0.9900 | N2_12—O9_12 | 1.275 (6) |
C3_4—H32_4 | 0.9900 | N3_13—O8_13 | 1.232 (6) |
C4_4—H41_4 | 0.9900 | N3_13—O10_13 | 1.254 (6) |
C4_4—H42_4 | 0.9900 | N3_13—O9_13 | 1.285 (6) |
C5_4—C6_4 | 1.459 (8) | N4_14—O8_14 | 1.205 (6) |
C5_4—H51_4 | 0.9900 | N4_14—O10_14 | 1.231 (6) |
C5_4—H52_4 | 0.9900 | N4_14—O9_14 | 1.303 (6) |
C6_4—H61_4 | 0.9900 | N5_15—O8_15 | 1.233 (6) |
C6_4—H62_4 | 0.9900 | N5_15—O10_15 | 1.242 (5) |
C7_4—C8_4 | 1.512 (7) | N5_15—O9_15 | 1.269 (6) |
C7_4—H71_4 | 0.9900 | N6_16—O8_16 | 1.232 (6) |
C7_4—H72_4 | 0.9900 | N6_16—O10_16 | 1.233 (5) |
C8_4—H81_4 | 0.9900 | N6_16—O9_16 | 1.298 (6) |
C8_4—H82_4 | 0.9900 | N7_17—O8_17 | 1.229 (6) |
C9_4—C10_4 | 1.527 (8) | N7_17—O10_17 | 1.240 (5) |
C9_4—H91_4 | 0.9900 | N7_17—O9_17 | 1.285 (5) |
C9_4—H92_4 | 0.9900 | N8_18—O8_18 | 1.230 (6) |
C10_4—H101_4 | 0.9900 | N8_18—O10_18 | 1.255 (6) |
C10_4—H102_4 | 0.9900 | N8_18—O9_18 | 1.287 (6) |
O6_5—Fe5_5 | 2.084 (4) | N9_19—O10_19 | 1.229 (5) |
O6_5—H1W_5 | 0.814 (10) | N9_19—O9_19 | 1.259 (5) |
O6_5—H2W_5 | 0.817 (10) | N9_19—O8_19 | 1.282 (6) |
O7_5—Fe5_5 | 2.036 (4) | N10_20—O9_20 | 1.227 (6) |
O7_5—H3W_5 | 0.808 (10) | N10_20—O10_20 | 1.244 (6) |
O7_5—H4W_5 | 0.813 (10) | N10_20—O8_20 | 1.282 (6) |
Fe5_5—O5_5 | 2.179 (4) | N11_21—O10_21 | 1.213 (6) |
Fe5_5—O2_5 | 2.205 (4) | N11_21—O9_21 | 1.236 (6) |
Fe5_5—O1_5 | 2.239 (4) | N11_21—O8_21 | 1.282 (6) |
Fe5_5—O4_5 | 2.239 (4) | N12_22—O10_22 | 1.228 (6) |
Fe5_5—O3_5 | 2.244 (3) | N12_22—O9_22 | 1.244 (6) |
O1_5—C10_5 | 1.430 (6) | N12_22—O8_22 | 1.289 (6) |
O1_5—C1_5 | 1.444 (7) | N13_23—O9_23 | 1.226 (6) |
O2_5—C3_5 | 1.443 (6) | N13_23—O10_23 | 1.234 (5) |
O2_5—C2_5 | 1.445 (6) | N13_23—O8_23 | 1.275 (6) |
O3_5—C4_5 | 1.434 (7) | N14_24—O10_24 | 1.227 (5) |
O3_5—C5_5 | 1.437 (6) | N14_24—O9_24 | 1.245 (6) |
O4_5—C6_5 | 1.432 (6) | N14_24—O8_24 | 1.284 (6) |
O4_5—C7_5 | 1.449 (6) | N15_25—O10_25 | 1.226 (5) |
O5_5—C9_5 | 1.413 (6) | N15_25—O9_25 | 1.237 (5) |
O5_5—C8_5 | 1.429 (6) | N15_25—O8_25 | 1.276 (6) |
C1_5—C2_5 | 1.483 (7) | N16_26—O10_26 | 1.224 (6) |
C1_5—H11_5 | 0.9900 | N16_26—O9_26 | 1.236 (6) |
C1_5—H12_5 | 0.9900 | N16_26—O8_26 | 1.274 (7) |
C2_5—H21_5 | 0.9900 | ||
Fe1_1—O6_1—H1W_1 | 129 (3) | O2_5—Fe5_5—O3_5 | 73.19 (14) |
Fe1_1—O6_1—H2W_1 | 122 (3) | O1_5—Fe5_5—O3_5 | 144.81 (14) |
H1W_1—O6_1—H2W_1 | 107 (2) | O4_5—Fe5_5—O3_5 | 73.27 (13) |
Fe1_1—O7_1—H3W_1 | 145 (2) | C10_5—O1_5—C1_5 | 113.6 (4) |
Fe1_1—O7_1—H4W_1 | 107 (3) | C10_5—O1_5—Fe5_5 | 110.9 (3) |
H3W_1—O7_1—H4W_1 | 107 (2) | C1_5—O1_5—Fe5_5 | 112.9 (3) |
O6_1—Fe1_1—O7_1 | 178.17 (18) | C3_5—O2_5—C2_5 | 114.9 (4) |
O6_1—Fe1_1—O5_1 | 87.09 (16) | C3_5—O2_5—Fe5_5 | 112.5 (3) |
O7_1—Fe1_1—O5_1 | 91.70 (15) | C2_5—O2_5—Fe5_5 | 114.1 (3) |
O6_1—Fe1_1—O4_1 | 92.17 (16) | C4_5—O3_5—C5_5 | 114.4 (4) |
O7_1—Fe1_1—O4_1 | 88.72 (15) | C4_5—O3_5—Fe5_5 | 112.6 (3) |
O5_1—Fe1_1—O4_1 | 70.63 (13) | C5_5—O3_5—Fe5_5 | 110.7 (3) |
O6_1—Fe1_1—O3_1 | 85.10 (15) | C6_5—O4_5—C7_5 | 113.6 (4) |
O7_1—Fe1_1—O3_1 | 96.69 (15) | C6_5—O4_5—Fe5_5 | 114.3 (3) |
O5_1—Fe1_1—O3_1 | 143.18 (14) | C7_5—O4_5—Fe5_5 | 113.2 (3) |
O4_1—Fe1_1—O3_1 | 73.77 (13) | C9_5—O5_5—C8_5 | 117.7 (4) |
O6_1—Fe1_1—O1_1 | 89.89 (16) | C9_5—O5_5—Fe5_5 | 120.4 (3) |
O7_1—Fe1_1—O1_1 | 88.41 (15) | C8_5—O5_5—Fe5_5 | 121.9 (3) |
O5_1—Fe1_1—O1_1 | 70.77 (13) | O1_5—C1_5—C2_5 | 106.6 (5) |
O4_1—Fe1_1—O1_1 | 141.18 (12) | O1_5—C1_5—H11_5 | 110.4 |
O3_1—Fe1_1—O1_1 | 144.95 (13) | C2_5—C1_5—H11_5 | 110.4 |
O6_1—Fe1_1—O2_1 | 98.79 (16) | O1_5—C1_5—H12_5 | 110.4 |
O7_1—Fe1_1—O2_1 | 81.38 (15) | C2_5—C1_5—H12_5 | 110.4 |
O5_1—Fe1_1—O2_1 | 143.40 (14) | H11_5—C1_5—H12_5 | 108.6 |
O4_1—Fe1_1—O2_1 | 144.25 (13) | O2_5—C2_5—C1_5 | 106.1 (4) |
O3_1—Fe1_1—O2_1 | 73.42 (13) | O2_5—C2_5—H21_5 | 110.5 |
O1_1—Fe1_1—O2_1 | 73.13 (13) | C1_5—C2_5—H21_5 | 110.5 |
C1_1—O1_1—C10_1 | 112.3 (4) | O2_5—C2_5—H22_5 | 110.5 |
C1_1—O1_1—Fe1_1 | 112.6 (3) | C1_5—C2_5—H22_5 | 110.5 |
C10_1—O1_1—Fe1_1 | 112.3 (3) | H21_5—C2_5—H22_5 | 108.7 |
C3_1—O2_1—C2_1 | 115.0 (4) | O2_5—C3_5—C4_5 | 105.4 (4) |
C3_1—O2_1—Fe1_1 | 112.6 (3) | O2_5—C3_5—H31_5 | 110.7 |
C2_1—O2_1—Fe1_1 | 113.3 (3) | C4_5—C3_5—H31_5 | 110.7 |
C5_1—O3_1—C4_1 | 114.2 (4) | O2_5—C3_5—H32_5 | 110.7 |
C5_1—O3_1—Fe1_1 | 111.1 (3) | C4_5—C3_5—H32_5 | 110.7 |
C4_1—O3_1—Fe1_1 | 113.3 (3) | H31_5—C3_5—H32_5 | 108.8 |
C7_1—O4_1—C6_1 | 114.5 (4) | O3_5—C4_5—C3_5 | 106.0 (4) |
C7_1—O4_1—Fe1_1 | 112.4 (3) | O3_5—C4_5—H41_5 | 110.5 |
C6_1—O4_1—Fe1_1 | 113.3 (3) | C3_5—C4_5—H41_5 | 110.5 |
C8_1—O5_1—C9_1 | 117.7 (4) | O3_5—C4_5—H42_5 | 110.5 |
C8_1—O5_1—Fe1_1 | 121.6 (3) | C3_5—C4_5—H42_5 | 110.5 |
C9_1—O5_1—Fe1_1 | 120.5 (3) | H41_5—C4_5—H42_5 | 108.7 |
O1_1—C1_1—C2_1 | 106.8 (5) | O3_5—C5_5—C6_5 | 105.6 (5) |
O1_1—C1_1—H11_1 | 110.4 | O3_5—C5_5—H51_5 | 110.6 |
C2_1—C1_1—H11_1 | 110.4 | C6_5—C5_5—H51_5 | 110.6 |
O1_1—C1_1—H12_1 | 110.4 | O3_5—C5_5—H52_5 | 110.6 |
C2_1—C1_1—H12_1 | 110.4 | C6_5—C5_5—H52_5 | 110.6 |
H11_1—C1_1—H12_1 | 108.6 | H51_5—C5_5—H52_5 | 108.8 |
O2_1—C2_1—C1_1 | 105.2 (4) | O4_5—C6_5—C5_5 | 105.4 (5) |
O2_1—C2_1—H21_1 | 110.7 | O4_5—C6_5—H61_5 | 110.7 |
C1_1—C2_1—H21_1 | 110.7 | C5_5—C6_5—H61_5 | 110.7 |
O2_1—C2_1—H22_1 | 110.7 | O4_5—C6_5—H62_5 | 110.7 |
C1_1—C2_1—H22_1 | 110.7 | C5_5—C6_5—H62_5 | 110.7 |
H21_1—C2_1—H22_1 | 108.8 | H61_5—C6_5—H62_5 | 108.8 |
O2_1—C3_1—C4_1 | 105.7 (4) | O4_5—C7_5—C8_5 | 106.8 (5) |
O2_1—C3_1—H31_1 | 110.6 | O4_5—C7_5—H71_5 | 110.4 |
C4_1—C3_1—H31_1 | 110.6 | C8_5—C7_5—H71_5 | 110.4 |
O2_1—C3_1—H32_1 | 110.6 | O4_5—C7_5—H72_5 | 110.4 |
C4_1—C3_1—H32_1 | 110.6 | C8_5—C7_5—H72_5 | 110.4 |
H31_1—C3_1—H32_1 | 108.7 | H71_5—C7_5—H72_5 | 108.6 |
O3_1—C4_1—C3_1 | 106.5 (4) | O5_5—C8_5—C7_5 | 106.6 (4) |
O3_1—C4_1—H41_1 | 110.4 | O5_5—C8_5—H81_5 | 110.4 |
C3_1—C4_1—H41_1 | 110.4 | C7_5—C8_5—H81_5 | 110.4 |
O3_1—C4_1—H42_1 | 110.4 | O5_5—C8_5—H82_5 | 110.4 |
C3_1—C4_1—H42_1 | 110.4 | C7_5—C8_5—H82_5 | 110.4 |
H41_1—C4_1—H42_1 | 108.6 | H81_5—C8_5—H82_5 | 108.6 |
O3_1—C5_1—C6_1 | 106.6 (5) | O5_5—C9_5—C10_5 | 105.7 (4) |
O3_1—C5_1—H51_1 | 110.4 | O5_5—C9_5—H91_5 | 110.6 |
C6_1—C5_1—H51_1 | 110.4 | C10_5—C9_5—H91_5 | 110.6 |
O3_1—C5_1—H52_1 | 110.4 | O5_5—C9_5—H92_5 | 110.6 |
C6_1—C5_1—H52_1 | 110.4 | C10_5—C9_5—H92_5 | 110.6 |
H51_1—C5_1—H52_1 | 108.6 | H91_5—C9_5—H92_5 | 108.7 |
O4_1—C6_1—C5_1 | 107.7 (5) | O1_5—C10_5—C9_5 | 106.0 (4) |
O4_1—C6_1—H61_1 | 110.2 | O1_5—C10_5—H101_5 | 110.5 |
C5_1—C6_1—H61_1 | 110.2 | C9_5—C10_5—H101_5 | 110.5 |
O4_1—C6_1—H62_1 | 110.2 | O1_5—C10_5—H102_5 | 110.5 |
C5_1—C6_1—H62_1 | 110.2 | C9_5—C10_5—H102_5 | 110.5 |
H61_1—C6_1—H62_1 | 108.5 | H101_5—C10_5—H102_5 | 108.7 |
O4_1—C7_1—C8_1 | 107.3 (5) | Fe6_6—O6_6—H1W_6 | 122 (3) |
O4_1—C7_1—H71_1 | 110.2 | Fe6_6—O6_6—H2W_6 | 127 (3) |
C8_1—C7_1—H71_1 | 110.2 | H1W_6—O6_6—H2W_6 | 106 (2) |
O4_1—C7_1—H72_1 | 110.2 | Fe6_6—O7_6—H3W_6 | 118 (3) |
C8_1—C7_1—H72_1 | 110.2 | Fe6_6—O7_6—H4W_6 | 137 (3) |
H71_1—C7_1—H72_1 | 108.5 | H3W_6—O7_6—H4W_6 | 104 (2) |
O5_1—C8_1—C7_1 | 105.1 (4) | O6_6—Fe6_6—O7_6 | 177.19 (16) |
O5_1—C8_1—H81_1 | 110.7 | O6_6—Fe6_6—O5_6 | 86.93 (16) |
C7_1—C8_1—H81_1 | 110.7 | O7_6—Fe6_6—O5_6 | 90.29 (16) |
O5_1—C8_1—H82_1 | 110.7 | O6_6—Fe6_6—O3_6 | 86.11 (15) |
C7_1—C8_1—H82_1 | 110.7 | O7_6—Fe6_6—O3_6 | 96.38 (16) |
H81_1—C8_1—H82_1 | 108.8 | O5_6—Fe6_6—O3_6 | 143.54 (15) |
O5_1—C9_1—C10_1 | 106.4 (4) | O6_6—Fe6_6—O4_6 | 91.08 (16) |
O5_1—C9_1—H91_1 | 110.4 | O7_6—Fe6_6—O4_6 | 88.36 (16) |
C10_1—C9_1—H91_1 | 110.4 | O5_6—Fe6_6—O4_6 | 70.18 (13) |
O5_1—C9_1—H92_1 | 110.4 | O3_6—Fe6_6—O4_6 | 74.21 (13) |
C10_1—C9_1—H92_1 | 110.4 | O6_6—Fe6_6—O2_6 | 100.79 (16) |
H91_1—C9_1—H92_1 | 108.6 | O7_6—Fe6_6—O2_6 | 81.20 (16) |
O1_1—C10_1—C9_1 | 105.4 (5) | O5_6—Fe6_6—O2_6 | 143.02 (14) |
O1_1—C10_1—H101_1 | 110.7 | O3_6—Fe6_6—O2_6 | 73.41 (13) |
C9_1—C10_1—H101_1 | 110.7 | O4_6—Fe6_6—O2_6 | 144.52 (13) |
O1_1—C10_1—H102_1 | 110.7 | O6_6—Fe6_6—O1_6 | 89.53 (16) |
C9_1—C10_1—H102_1 | 110.7 | O7_6—Fe6_6—O1_6 | 89.19 (16) |
H101_1—C10_1—H102_1 | 108.8 | O5_6—Fe6_6—O1_6 | 71.25 (13) |
Fe2_2—O6_2—H1W_2 | 123 (3) | O3_6—Fe6_6—O1_6 | 144.33 (14) |
Fe2_2—O6_2—H2W_2 | 130 (3) | O4_6—Fe6_6—O1_6 | 141.34 (13) |
H1W_2—O6_2—H2W_2 | 106 (2) | O2_6—Fe6_6—O1_6 | 72.70 (13) |
Fe2_2—O7_2—H3W_2 | 120 (3) | C1_6—O1_6—C10_6 | 113.3 (4) |
Fe2_2—O7_2—H4W_2 | 131 (3) | C1_6—O1_6—Fe6_6 | 112.7 (3) |
H3W_2—O7_2—H4W_2 | 107 (2) | C10_6—O1_6—Fe6_6 | 111.2 (3) |
O7_2—Fe2_2—O6_2 | 176.57 (15) | C2_6—O2_6—C3_6 | 115.1 (4) |
O7_2—Fe2_2—O2_2 | 83.96 (15) | C2_6—O2_6—Fe6_6 | 112.8 (3) |
O6_2—Fe2_2—O2_2 | 99.33 (16) | C3_6—O2_6—Fe6_6 | 112.0 (3) |
O7_2—Fe2_2—O5_2 | 89.01 (15) | C5_6—O3_6—C4_6 | 114.7 (4) |
O6_2—Fe2_2—O5_2 | 87.76 (16) | C5_6—O3_6—Fe6_6 | 110.7 (3) |
O2_2—Fe2_2—O5_2 | 143.30 (14) | C4_6—O3_6—Fe6_6 | 113.5 (3) |
O7_2—Fe2_2—O4_2 | 87.88 (15) | C7_6—O4_6—C6_6 | 113.5 (4) |
O6_2—Fe2_2—O4_2 | 89.98 (16) | C7_6—O4_6—Fe6_6 | 112.5 (3) |
O2_2—Fe2_2—O4_2 | 144.42 (13) | C6_6—O4_6—Fe6_6 | 112.7 (3) |
O5_2—Fe2_2—O4_2 | 70.73 (13) | C8_6—O5_6—C9_6 | 118.6 (4) |
O7_2—Fe2_2—O3_2 | 97.12 (15) | C8_6—O5_6—Fe6_6 | 121.2 (3) |
O6_2—Fe2_2—O3_2 | 84.82 (15) | C9_6—O5_6—Fe6_6 | 120.1 (3) |
O2_2—Fe2_2—O3_2 | 73.22 (13) | O1_6—C1_6—C2_6 | 106.1 (5) |
O5_2—Fe2_2—O3_2 | 143.47 (15) | O1_6—C1_6—H11_6 | 110.5 |
O4_2—Fe2_2—O3_2 | 73.54 (13) | C2_6—C1_6—H11_6 | 110.5 |
O7_2—Fe2_2—O1_2 | 90.17 (15) | O1_6—C1_6—H12_6 | 110.5 |
O6_2—Fe2_2—O1_2 | 89.85 (16) | C2_6—C1_6—H12_6 | 110.5 |
O2_2—Fe2_2—O1_2 | 73.21 (13) | H11_6—C1_6—H12_6 | 108.7 |
O5_2—Fe2_2—O1_2 | 70.84 (13) | O2_6—C2_6—C1_6 | 105.5 (4) |
O4_2—Fe2_2—O1_2 | 141.55 (13) | O2_6—C2_6—H21_6 | 110.6 |
O3_2—Fe2_2—O1_2 | 144.62 (13) | C1_6—C2_6—H21_6 | 110.6 |
C1_2—O1_2—C10_2 | 114.4 (4) | O2_6—C2_6—H22_6 | 110.6 |
C1_2—O1_2—Fe2_2 | 112.1 (3) | C1_6—C2_6—H22_6 | 110.6 |
C10_2—O1_2—Fe2_2 | 111.5 (3) | H21_6—C2_6—H22_6 | 108.8 |
C2_2—O2_2—C3_2 | 114.5 (4) | O2_6—C3_6—C4_6 | 106.3 (4) |
C2_2—O2_2—Fe2_2 | 114.7 (3) | O2_6—C3_6—H31_6 | 110.5 |
C3_2—O2_2—Fe2_2 | 112.9 (3) | C4_6—C3_6—H31_6 | 110.5 |
C4_2—O3_2—C5_2 | 114.4 (4) | O2_6—C3_6—H32_6 | 110.5 |
C4_2—O3_2—Fe2_2 | 112.1 (3) | C4_6—C3_6—H32_6 | 110.5 |
C5_2—O3_2—Fe2_2 | 110.4 (3) | H31_6—C3_6—H32_6 | 108.7 |
C6_2—O4_2—C7_2 | 112.9 (4) | O3_6—C4_6—C3_6 | 106.2 (4) |
C6_2—O4_2—Fe2_2 | 113.9 (3) | O3_6—C4_6—H41_6 | 110.5 |
C7_2—O4_2—Fe2_2 | 112.2 (3) | C3_6—C4_6—H41_6 | 110.5 |
C9_2—O5_2—C8_2 | 118.2 (4) | O3_6—C4_6—H42_6 | 110.5 |
C9_2—O5_2—Fe2_2 | 120.4 (3) | C3_6—C4_6—H42_6 | 110.5 |
C8_2—O5_2—Fe2_2 | 121.3 (3) | H41_6—C4_6—H42_6 | 108.7 |
O1_2—C1_2—C2_2 | 107.0 (5) | O3_6—C5_6—C6_6 | 107.5 (5) |
O1_2—C1_2—H11_2 | 110.3 | O3_6—C5_6—H51_6 | 110.2 |
C2_2—C1_2—H11_2 | 110.3 | C6_6—C5_6—H51_6 | 110.2 |
O1_2—C1_2—H12_2 | 110.3 | O3_6—C5_6—H52_6 | 110.2 |
C2_2—C1_2—H12_2 | 110.3 | C6_6—C5_6—H52_6 | 110.2 |
H11_2—C1_2—H12_2 | 108.6 | H51_6—C5_6—H52_6 | 108.5 |
O2_2—C2_2—C1_2 | 106.0 (4) | O4_6—C6_6—C5_6 | 106.4 (5) |
O2_2—C2_2—H21_2 | 110.5 | O4_6—C6_6—H61_6 | 110.4 |
C1_2—C2_2—H21_2 | 110.5 | C5_6—C6_6—H61_6 | 110.4 |
O2_2—C2_2—H22_2 | 110.5 | O4_6—C6_6—H62_6 | 110.4 |
C1_2—C2_2—H22_2 | 110.5 | C5_6—C6_6—H62_6 | 110.4 |
H21_2—C2_2—H22_2 | 108.7 | H61_6—C6_6—H62_6 | 108.6 |
O2_2—C3_2—C4_2 | 105.7 (4) | O4_6—C7_6—C8_6 | 106.5 (5) |
O2_2—C3_2—H31_2 | 110.6 | O4_6—C7_6—H71_6 | 110.4 |
C4_2—C3_2—H31_2 | 110.6 | C8_6—C7_6—H71_6 | 110.4 |
O2_2—C3_2—H32_2 | 110.6 | O4_6—C7_6—H72_6 | 110.4 |
C4_2—C3_2—H32_2 | 110.6 | C8_6—C7_6—H72_6 | 110.4 |
H31_2—C3_2—H32_2 | 108.7 | H71_6—C7_6—H72_6 | 108.6 |
O3_2—C4_2—C3_2 | 105.1 (4) | O5_6—C8_6—C7_6 | 106.1 (4) |
O3_2—C4_2—H41_2 | 110.7 | O5_6—C8_6—H81_6 | 110.5 |
C3_2—C4_2—H41_2 | 110.7 | C7_6—C8_6—H81_6 | 110.5 |
O3_2—C4_2—H42_2 | 110.7 | O5_6—C8_6—H82_6 | 110.5 |
C3_2—C4_2—H42_2 | 110.7 | C7_6—C8_6—H82_6 | 110.5 |
H41_2—C4_2—H42_2 | 108.8 | H81_6—C8_6—H82_6 | 108.7 |
O3_2—C5_2—C6_2 | 105.7 (4) | O5_6—C9_6—C10_6 | 105.7 (5) |
O3_2—C5_2—H51_2 | 110.6 | O5_6—C9_6—H91_6 | 110.6 |
C6_2—C5_2—H51_2 | 110.6 | C10_6—C9_6—H91_6 | 110.6 |
O3_2—C5_2—H52_2 | 110.6 | O5_6—C9_6—H92_6 | 110.6 |
C6_2—C5_2—H52_2 | 110.6 | C10_6—C9_6—H92_6 | 110.6 |
H51_2—C5_2—H52_2 | 108.7 | H91_6—C9_6—H92_6 | 108.7 |
O4_2—C6_2—C5_2 | 104.9 (4) | O1_6—C10_6—C9_6 | 107.3 (5) |
O4_2—C6_2—H61_2 | 110.8 | O1_6—C10_6—H101_6 | 110.3 |
C5_2—C6_2—H61_2 | 110.8 | C9_6—C10_6—H101_6 | 110.3 |
O4_2—C6_2—H62_2 | 110.8 | O1_6—C10_6—H102_6 | 110.3 |
C5_2—C6_2—H62_2 | 110.8 | C9_6—C10_6—H102_6 | 110.3 |
H61_2—C6_2—H62_2 | 108.8 | H101_6—C10_6—H102_6 | 108.5 |
O4_2—C7_2—C8_2 | 106.0 (4) | Fe7_7—O6_7—Fe10_10 | 4.52 (14) |
O4_2—C7_2—H71_2 | 110.5 | Fe7_7—O6_7—H1W_7 | 131 (3) |
C8_2—C7_2—H71_2 | 110.5 | Fe10_10—O6_7—H1W_7 | 127 (3) |
O4_2—C7_2—H72_2 | 110.5 | Fe7_7—O6_7—H2W_7 | 120 (3) |
C8_2—C7_2—H72_2 | 110.5 | Fe10_10—O6_7—H2W_7 | 124 (3) |
H71_2—C7_2—H72_2 | 108.7 | H1W_7—O6_7—H2W_7 | 105 (2) |
O5_2—C8_2—C7_2 | 106.3 (4) | Fe10_10—O7_7—Fe7_7 | 5.03 (16) |
O5_2—C8_2—H81_2 | 110.5 | Fe10_10—O7_7—H3W_7 | 125 (3) |
C7_2—C8_2—H81_2 | 110.5 | Fe7_7—O7_7—H3W_7 | 120 (3) |
O5_2—C8_2—H82_2 | 110.5 | Fe10_10—O7_7—H4W_7 | 122 (3) |
C7_2—C8_2—H82_2 | 110.5 | Fe7_7—O7_7—H4W_7 | 127 (3) |
H81_2—C8_2—H82_2 | 108.7 | H3W_7—O7_7—H4W_7 | 105 (2) |
O5_2—C9_2—C10_2 | 106.1 (4) | O7_7—Fe7_7—O6_7 | 176.3 (2) |
O5_2—C9_2—H91_2 | 110.5 | O7_7—Fe7_7—O5_7 | 85.66 (15) |
C10_2—C9_2—H91_2 | 110.5 | O6_7—Fe7_7—O5_7 | 91.12 (15) |
O5_2—C9_2—H92_2 | 110.5 | O7_7—Fe7_7—O2_7 | 84.02 (16) |
C10_2—C9_2—H92_2 | 110.5 | O6_7—Fe7_7—O2_7 | 99.62 (15) |
H91_2—C9_2—H92_2 | 108.7 | O5_7—Fe7_7—O2_7 | 141.89 (14) |
O1_2—C10_2—C9_2 | 106.7 (5) | O7_7—Fe7_7—O4_7 | 88.30 (16) |
O1_2—C10_2—H101_2 | 110.4 | O6_7—Fe7_7—O4_7 | 88.97 (17) |
C9_2—C10_2—H101_2 | 110.4 | O5_7—Fe7_7—O4_7 | 71.06 (13) |
O1_2—C10_2—H102_2 | 110.4 | O2_7—Fe7_7—O4_7 | 144.81 (13) |
C9_2—C10_2—H102_2 | 110.4 | O7_7—Fe7_7—O3_7 | 97.35 (15) |
H101_2—C10_2—H102_2 | 108.6 | O6_7—Fe7_7—O3_7 | 84.25 (15) |
Fe3_3—O6_3—Fe9_9 | 4.65 (17) | O5_7—Fe7_7—O3_7 | 144.61 (15) |
Fe3_3—O6_3—H1W_3 | 125 (3) | O2_7—Fe7_7—O3_7 | 73.25 (13) |
Fe9_9—O6_3—H1W_3 | 121 (3) | O4_7—Fe7_7—O3_7 | 73.79 (12) |
Fe3_3—O6_3—H2W_3 | 125 (3) | O7_7—Fe7_7—O1_7 | 92.21 (15) |
Fe9_9—O6_3—H2W_3 | 130 (3) | O6_7—Fe7_7—O1_7 | 88.42 (15) |
H1W_3—O6_3—H2W_3 | 106 (2) | O5_7—Fe7_7—O1_7 | 71.10 (12) |
Fe9_9—O7_3—Fe3_3 | 4.57 (17) | O2_7—Fe7_7—O1_7 | 72.76 (13) |
Fe9_9—O7_3—H3W_3 | 136 (3) | O4_7—Fe7_7—O1_7 | 142.00 (13) |
Fe3_3—O7_3—H3W_3 | 131 (3) | O3_7—Fe7_7—O1_7 | 143.41 (13) |
Fe9_9—O7_3—H4W_3 | 116 (3) | C1_7—O1_7—C10_7 | 113.7 (4) |
Fe3_3—O7_3—H4W_3 | 120 (3) | C1_7—O1_7—Fe7_7 | 112.1 (3) |
H3W_3—O7_3—H4W_3 | 106 (2) | C10_7—O1_7—Fe7_7 | 112.8 (3) |
O6_3—Fe3_3—O7_3 | 177.1 (2) | C2_7—O2_7—C3_7 | 114.8 (4) |
O6_3—Fe3_3—O5_3 | 89.10 (16) | C2_7—O2_7—Fe7_7 | 114.2 (3) |
O7_3—Fe3_3—O5_3 | 87.99 (15) | C3_7—O2_7—Fe7_7 | 112.7 (3) |
O6_3—Fe3_3—O3_3 | 85.71 (15) | C5_7—O3_7—C4_7 | 113.5 (4) |
O7_3—Fe3_3—O3_3 | 96.69 (16) | C5_7—O3_7—Fe7_7 | 111.9 (3) |
O5_3—Fe3_3—O3_3 | 144.34 (14) | C4_7—O3_7—Fe7_7 | 112.5 (3) |
O6_3—Fe3_3—O4_3 | 89.79 (16) | C6_7—O4_7—C7_7 | 113.2 (4) |
O7_3—Fe3_3—O4_3 | 89.31 (16) | C6_7—O4_7—Fe7_7 | 113.3 (3) |
O5_3—Fe3_3—O4_3 | 70.59 (13) | C7_7—O4_7—Fe7_7 | 111.1 (3) |
O3_3—Fe3_3—O4_3 | 74.13 (12) | C9_7—O5_7—C8_7 | 117.8 (4) |
O6_3—Fe3_3—O1_3 | 88.56 (16) | C9_7—O5_7—Fe7_7 | 118.5 (3) |
O7_3—Fe3_3—O1_3 | 90.47 (16) | C8_7—O5_7—Fe7_7 | 120.4 (3) |
O5_3—Fe3_3—O1_3 | 71.69 (12) | O1_7—C1_7—C2_7 | 107.6 (4) |
O3_3—Fe3_3—O1_3 | 143.18 (13) | O1_7—C1_7—H11_7 | 110.2 |
O4_3—Fe3_3—O1_3 | 142.26 (12) | C2_7—C1_7—H11_7 | 110.2 |
O6_3—Fe3_3—O2_3 | 101.41 (16) | O1_7—C1_7—H12_7 | 110.2 |
O7_3—Fe3_3—O2_3 | 80.90 (15) | C2_7—C1_7—H12_7 | 110.2 |
O5_3—Fe3_3—O2_3 | 142.56 (14) | H11_7—C1_7—H12_7 | 108.5 |
O3_3—Fe3_3—O2_3 | 72.83 (12) | H6A_10—C1_7—H6B_10 | 87.6 |
O4_3—Fe3_3—O2_3 | 144.07 (13) | O2_7—C2_7—C1_7 | 105.7 (4) |
O1_3—Fe3_3—O2_3 | 72.76 (12) | O2_7—C2_7—H21_7 | 110.6 |
C1_3—O1_3—C10_3 | 113.4 (4) | C1_7—C2_7—H21_7 | 110.6 |
C1_3—O1_3—Fe3_3 | 112.9 (3) | O2_7—C2_7—H22_7 | 110.6 |
C10_3—O1_3—Fe3_3 | 111.9 (3) | C1_7—C2_7—H22_7 | 110.6 |
C2_3—O2_3—C3_3 | 114.1 (4) | H21_7—C2_7—H22_7 | 108.7 |
C2_3—O2_3—Fe3_3 | 113.2 (3) | O2_7—C3_7—C4_7 | 106.3 (4) |
C3_3—O2_3—Fe3_3 | 112.7 (3) | O2_7—C3_7—H31_7 | 110.5 |
C5_3—O3_3—C4_3 | 113.9 (4) | C4_7—C3_7—H31_7 | 110.5 |
C5_3—O3_3—Fe3_3 | 111.1 (3) | O2_7—C3_7—H32_7 | 110.5 |
C4_3—O3_3—Fe3_3 | 113.8 (3) | C4_7—C3_7—H32_7 | 110.5 |
C6_3—O4_3—C7_3 | 113.8 (4) | H31_7—C3_7—H32_7 | 108.7 |
C6_3—O4_3—Fe3_3 | 112.8 (3) | H8A_10—C3_7—H8B_10 | 99.8 |
C7_3—O4_3—Fe3_3 | 111.8 (3) | O3_7—C4_7—C3_7 | 104.7 (4) |
C9_3—O5_3—C8_3 | 116.9 (4) | O3_7—C4_7—H41_7 | 110.8 |
C9_3—O5_3—Fe3_3 | 119.7 (3) | C3_7—C4_7—H41_7 | 110.8 |
C8_3—O5_3—Fe3_3 | 121.4 (3) | O3_7—C4_7—H42_7 | 110.8 |
O1_3—C1_3—C2_3 | 106.6 (4) | C3_7—C4_7—H42_7 | 110.8 |
O1_3—C1_3—H11_3 | 110.4 | H41_7—C4_7—H42_7 | 108.9 |
C2_3—C1_3—H11_3 | 110.4 | H9A_10—C4_7—H9B_10 | 115.5 |
O1_3—C1_3—H12_3 | 110.4 | O3_7—C5_7—C6_7 | 106.0 (4) |
C2_3—C1_3—H12_3 | 110.4 | O3_7—C5_7—H51_7 | 110.5 |
H11_3—C1_3—H12_3 | 108.6 | C6_7—C5_7—H51_7 | 110.5 |
H6A_9—C1_3—H6B_9 | 92.9 | O3_7—C5_7—H52_7 | 110.5 |
O2_3—C2_3—C1_3 | 105.6 (4) | C6_7—C5_7—H52_7 | 110.5 |
O2_3—C2_3—H21_3 | 110.6 | H51_7—C5_7—H52_7 | 108.7 |
C1_3—C2_3—H21_3 | 110.6 | O4_7—C6_7—C5_7 | 105.6 (4) |
O2_3—C2_3—H22_3 | 110.6 | O4_7—C6_7—H61_7 | 110.6 |
C1_3—C2_3—H22_3 | 110.6 | C5_7—C6_7—H61_7 | 110.6 |
H21_3—C2_3—H22_3 | 108.7 | O4_7—C6_7—H62_7 | 110.6 |
O2_3—C3_3—C4_3 | 106.3 (4) | C5_7—C6_7—H62_7 | 110.6 |
O2_3—C3_3—H31_3 | 110.5 | H61_7—C6_7—H62_7 | 108.8 |
C4_3—C3_3—H31_3 | 110.5 | H1A_10—C6_7—H1B_10 | 90.1 |
O2_3—C3_3—H32_3 | 110.5 | O4_7—C7_7—C8_7 | 107.5 (4) |
C4_3—C3_3—H32_3 | 110.5 | O4_7—C7_7—H71_7 | 110.2 |
H31_3—C3_3—H32_3 | 108.7 | C8_7—C7_7—H71_7 | 110.2 |
H8A_9—C3_3—H8B_9 | 102.1 | O4_7—C7_7—H72_7 | 110.2 |
O3_3—C4_3—C3_3 | 106.3 (4) | C8_7—C7_7—H72_7 | 110.2 |
O3_3—C4_3—H41_3 | 110.5 | H71_7—C7_7—H72_7 | 108.5 |
C3_3—C4_3—H41_3 | 110.5 | O5_7—C8_7—C7_7 | 107.4 (4) |
O3_3—C4_3—H42_3 | 110.5 | O5_7—C8_7—H81_7 | 110.2 |
C3_3—C4_3—H42_3 | 110.5 | C7_7—C8_7—H81_7 | 110.2 |
H41_3—C4_3—H42_3 | 108.7 | O5_7—C8_7—H82_7 | 110.2 |
H9A_9—C4_3—H9B_9 | 113.2 | C7_7—C8_7—H82_7 | 110.2 |
O3_3—C5_3—C6_3 | 106.1 (4) | H81_7—C8_7—H82_7 | 108.5 |
O3_3—C5_3—H51_3 | 110.5 | H3A_10—C8_7—H3B_10 | 79.3 |
C6_3—C5_3—H51_3 | 110.5 | O5_7—C9_7—C10_7 | 105.7 (4) |
O3_3—C5_3—H52_3 | 110.5 | O5_7—C9_7—H91_7 | 110.6 |
C6_3—C5_3—H52_3 | 110.5 | C10_7—C9_7—H91_7 | 110.6 |
H51_3—C5_3—H52_3 | 108.7 | O5_7—C9_7—H92_7 | 110.6 |
O4_3—C6_3—C5_3 | 106.9 (4) | C10_7—C9_7—H92_7 | 110.6 |
O4_3—C6_3—H61_3 | 110.3 | H91_7—C9_7—H92_7 | 108.7 |
C5_3—C6_3—H61_3 | 110.3 | H4A_10—C9_7—H4B_10 | 91.6 |
O4_3—C6_3—H62_3 | 110.3 | O1_7—C10_7—C9_7 | 105.6 (4) |
C5_3—C6_3—H62_3 | 110.3 | O1_7—C10_7—H101_7 | 110.6 |
H61_3—C6_3—H62_3 | 108.6 | C9_7—C10_7—H101_7 | 110.6 |
H1A_9—C6_3—H1B_9 | 84.0 | O1_7—C10_7—H102_7 | 110.6 |
O4_3—C7_3—C8_3 | 107.6 (4) | C9_7—C10_7—H102_7 | 110.6 |
O4_3—C7_3—H71_3 | 110.2 | H101_7—C10_7—H102_7 | 108.8 |
C8_3—C7_3—H71_3 | 110.2 | O7_7—Fe10_10—O5_10 | 86.9 (3) |
O4_3—C7_3—H72_3 | 110.2 | O7_7—Fe10_10—O3_10 | 88.3 (3) |
C8_3—C7_3—H72_3 | 110.2 | O5_10—Fe10_10—O3_10 | 143.0 |
H71_3—C7_3—H72_3 | 108.5 | O7_7—Fe10_10—O2_10 | 97.2 (3) |
O5_3—C8_3—C7_3 | 106.3 (4) | O5_10—Fe10_10—O2_10 | 143.9 |
O5_3—C8_3—H81_3 | 110.5 | O3_10—Fe10_10—O2_10 | 73.1 |
C7_3—C8_3—H81_3 | 110.5 | O7_7—Fe10_10—O1_10 | 87.4 (3) |
O5_3—C8_3—H82_3 | 110.5 | O5_10—Fe10_10—O1_10 | 72.6 |
C7_3—C8_3—H82_3 | 110.5 | O3_10—Fe10_10—O1_10 | 143.7 |
H81_3—C8_3—H82_3 | 108.7 | O2_10—Fe10_10—O1_10 | 71.8 |
H3A_9—C8_3—H3B_9 | 85.7 | O7_7—Fe10_10—O4_10 | 91.7 (3) |
O5_3—C9_3—C10_3 | 104.9 (4) | O5_10—Fe10_10—O4_10 | 70.3 |
O5_3—C9_3—H91_3 | 110.8 | O3_10—Fe10_10—O4_10 | 73.2 |
C10_3—C9_3—H91_3 | 110.8 | O2_10—Fe10_10—O4_10 | 144.8 |
O5_3—C9_3—H92_3 | 110.8 | O1_10—Fe10_10—O4_10 | 142.9 |
C10_3—C9_3—H92_3 | 110.8 | O7_7—Fe10_10—O6_7 | 173.0 (3) |
H91_3—C9_3—H92_3 | 108.8 | O5_10—Fe10_10—O6_7 | 86.9 (3) |
H4A_9—C9_3—H4B_9 | 86.8 | O3_10—Fe10_10—O6_7 | 98.6 (3) |
O1_3—C10_3—C9_3 | 108.2 (4) | O2_10—Fe10_10—O6_7 | 85.9 (3) |
O1_3—C10_3—H101_3 | 110.1 | O1_10—Fe10_10—O6_7 | 87.6 (3) |
C9_3—C10_3—H101_3 | 110.1 | O4_10—Fe10_10—O6_7 | 89.3 (3) |
O1_3—C10_3—H102_3 | 110.1 | C10_10—O1_10—C1_10 | 114.6 |
C9_3—C10_3—H102_3 | 110.1 | C10_10—O1_10—Fe10_10 | 111.2 |
H101_3—C10_3—H102_3 | 108.4 | C1_10—O1_10—Fe10_10 | 113.5 |
O6_3—Fe9_9—O5_9 | 87.8 (3) | C3_10—O2_10—C2_10 | 112.2 |
O6_3—Fe9_9—O7_3 | 173.7 (4) | C3_10—O2_10—Fe10_10 | 116.4 |
O5_9—Fe9_9—O7_3 | 85.9 (4) | C2_10—O2_10—Fe10_10 | 118.7 |
O6_3—Fe9_9—O3_9 | 97.5 (3) | C4_10—O3_10—C5_10 | 114.9 |
O5_9—Fe9_9—O3_9 | 142.9 | C4_10—O3_10—Fe10_10 | 114.7 |
O7_3—Fe9_9—O3_9 | 87.7 (4) | C5_10—O3_10—Fe10_10 | 113.7 |
O6_3—Fe9_9—O2_9 | 85.9 (4) | C6_10—O4_10—C7_10 | 112.1 |
O5_9—Fe9_9—O2_9 | 144.3 | C6_10—O4_10—Fe10_10 | 113.8 |
O7_3—Fe9_9—O2_9 | 99.1 (4) | C7_10—O4_10—Fe10_10 | 114.2 |
O3_9—Fe9_9—O2_9 | 72.8 | C9_10—O5_10—C8_10 | 115.8 |
O6_3—Fe9_9—O1_9 | 88.6 (4) | C9_10—O5_10—Fe10_10 | 120.9 |
O5_9—Fe9_9—O1_9 | 73.6 | C8_10—O5_10—Fe10_10 | 123.1 |
O7_3—Fe9_9—O1_9 | 89.3 (4) | O1_10—C1_10—C2_10 | 105.8 |
O3_9—Fe9_9—O1_9 | 142.9 | O1_10—C1_10—H1A_10 | 110.9 |
O2_9—Fe9_9—O1_9 | 71.1 | C2_10—C1_10—H1A_10 | 109.5 |
O6_3—Fe9_9—O4_9 | 89.8 (4) | O1_10—C1_10—H1B_10 | 111.1 |
O5_9—Fe9_9—O4_9 | 70.7 | C2_10—C1_10—H1B_10 | 110.5 |
O7_3—Fe9_9—O4_9 | 88.5 (4) | H1A_10—C1_10—H1B_10 | 108.9 |
O3_9—Fe9_9—O4_9 | 72.7 | O2_10—C2_10—C1_10 | 104.6 |
O2_9—Fe9_9—O4_9 | 144.3 | O2_10—C2_10—H2A_10 | 111.2 |
O1_9—Fe9_9—O4_9 | 144.2 | C1_10—C2_10—H2A_10 | 110.2 |
C10_9—O1_9—C1_9 | 112.7 | O2_10—C2_10—H2B_10 | 110.7 |
C10_9—O1_9—Fe9_9 | 111.3 | C1_10—C2_10—H2B_10 | 110.7 |
C1_9—O1_9—Fe9_9 | 114.7 | H2A_10—C2_10—H2B_10 | 109.4 |
C3_9—O2_9—C2_9 | 115.3 | O2_10—C3_10—C4_10 | 104.9 |
C3_9—O2_9—Fe9_9 | 115.8 | O2_10—C3_10—H3A_10 | 110.3 |
C2_9—O2_9—Fe9_9 | 117.3 | C4_10—C3_10—H3A_10 | 110.8 |
C5_9—O3_9—C4_9 | 114.7 | O2_10—C3_10—H3B_10 | 110.2 |
C5_9—O3_9—Fe9_9 | 114.8 | C4_10—C3_10—H3B_10 | 111.1 |
C4_9—O3_9—Fe9_9 | 114.4 | H3A_10—C3_10—H3B_10 | 109.5 |
C6_9—O4_9—C7_9 | 115.0 | O3_10—C4_10—C3_10 | 106.4 |
C6_9—O4_9—Fe9_9 | 114.9 | O3_10—C4_10—H4A_10 | 111.4 |
C7_9—O4_9—Fe9_9 | 112.5 | C3_10—C4_10—H4A_10 | 110.6 |
C9_9—O5_9—C8_9 | 117.8 | O3_10—C4_10—H4B_10 | 109.7 |
C9_9—O5_9—Fe9_9 | 119.6 | C3_10—C4_10—H4B_10 | 109.9 |
C8_9—O5_9—Fe9_9 | 122.5 | H4A_10—C4_10—H4B_10 | 108.8 |
O1_9—C1_9—C2_9 | 106.9 | O3_10—C5_10—C6_10 | 105.6 |
O1_9—C1_9—H1A_9 | 110.9 | O3_10—C5_10—H5A_10 | 110.4 |
C2_9—C1_9—H1A_9 | 110.2 | C6_10—C5_10—H5A_10 | 109.7 |
O1_9—C1_9—H1B_9 | 110.6 | O3_10—C5_10—H5B_10 | 110.7 |
C2_9—C1_9—H1B_9 | 109.2 | C6_10—C5_10—H5B_10 | 111.7 |
H1A_9—C1_9—H1B_9 | 108.9 | H5A_10—C5_10—H5B_10 | 108.7 |
C1_9—C2_9—O2_9 | 105.0 | O4_10—C6_10—C5_10 | 105.5 |
C1_9—C2_9—H2A_9 | 110.5 | O4_10—C6_10—H6A_10 | 110.4 |
O2_9—C2_9—H2A_9 | 110.7 | C5_10—C6_10—H6A_10 | 110.9 |
C1_9—C2_9—H2B_9 | 110.2 | O4_10—C6_10—H6B_10 | 110.2 |
O2_9—C2_9—H2B_9 | 111.1 | C5_10—C6_10—H6B_10 | 111.4 |
H2A_9—C2_9—H2B_9 | 109.3 | H6A_10—C6_10—H6B_10 | 108.5 |
O2_9—C3_9—C4_9 | 104.9 | O4_10—C7_10—C8_10 | 104.9 |
O2_9—C3_9—H3A_9 | 110.2 | O4_10—C7_10—H7A_10 | 111.5 |
C4_9—C3_9—H3A_9 | 111.0 | C8_10—C7_10—H7A_10 | 110.4 |
O2_9—C3_9—H3B_9 | 110.3 | O4_10—C7_10—H7B_10 | 111.0 |
C4_9—C3_9—H3B_9 | 110.9 | C8_10—C7_10—H7B_10 | 110.7 |
H3A_9—C3_9—H3B_9 | 109.6 | H7A_10—C7_10—H7B_10 | 108.3 |
O3_9—C4_9—C3_9 | 106.8 | O5_10—C8_10—C7_10 | 107.6 |
O3_9—C4_9—H4A_9 | 109.6 | O5_10—C8_10—H8A_10 | 109.9 |
C3_9—C4_9—H4A_9 | 109.9 | C7_10—C8_10—H8A_10 | 110.0 |
O3_9—C4_9—H4B_9 | 111.3 | O5_10—C8_10—H8B_10 | 110.9 |
C3_9—C4_9—H4B_9 | 110.6 | C7_10—C8_10—H8B_10 | 108.9 |
H4A_9—C4_9—H4B_9 | 108.6 | H8A_10—C8_10—H8B_10 | 109.6 |
O3_9—C5_9—C6_9 | 106.8 | O5_10—C9_10—C10_10 | 106.3 |
O3_9—C5_9—H5A_9 | 110.5 | O5_10—C9_10—H9A_10 | 110.5 |
C6_9—C5_9—H5A_9 | 111.4 | C10_10—C9_10—H9A_10 | 111.1 |
O3_9—C5_9—H5B_9 | 110.1 | O5_10—C9_10—H9B_10 | 109.3 |
C6_9—C5_9—H5B_9 | 109.4 | C10_10—C9_10—H9B_10 | 110.7 |
H5A_9—C5_9—H5B_9 | 108.6 | H9A_10—C9_10—H9B_10 | 109.1 |
O4_9—C6_9—C5_9 | 105.3 | O1_10—C10_10—C9_10 | 107.3 |
O4_9—C6_9—H6A_9 | 110.2 | O1_10—C10_10—H10A_10 | 110.2 |
C5_9—C6_9—H6A_9 | 111.5 | C9_10—C10_10—H10A_10 | 110.8 |
O4_9—C6_9—H6B_9 | 110.4 | O1_10—C10_10—H10B_10 | 109.1 |
C5_9—C6_9—H6B_9 | 110.8 | C9_10—C10_10—H10B_10 | 110.5 |
H6A_9—C6_9—H6B_9 | 108.6 | H10A_10—C10_10—H10B_10 | 108.9 |
C8_9—C7_9—O4_9 | 107.0 | Fe8_8—O6_8—H1W_8 | 123 (3) |
C8_9—C7_9—H7A_9 | 110.2 | Fe8_8—O6_8—H2W_8 | 128 (3) |
O4_9—C7_9—H7A_9 | 110.5 | H1W_8—O6_8—H2W_8 | 106 (2) |
C8_9—C7_9—H7B_9 | 110.0 | Fe8_8—O7_8—H3W_8 | 118 (3) |
O4_9—C7_9—H7B_9 | 111.0 | Fe8_8—O7_8—H4W_8 | 130 (3) |
H7A_9—C7_9—H7B_9 | 108.0 | H3W_8—O7_8—H4W_8 | 105 (2) |
C7_9—C8_9—O5_9 | 107.7 | O7_8—Fe8_8—O6_8 | 177.08 (17) |
C7_9—C8_9—H8A_9 | 108.8 | O7_8—Fe8_8—O5_8 | 89.33 (16) |
O5_9—C8_9—H8A_9 | 110.8 | O6_8—Fe8_8—O5_8 | 87.77 (16) |
C7_9—C8_9—H8B_9 | 110.0 | O7_8—Fe8_8—O1_8 | 90.29 (16) |
O5_9—C8_9—H8B_9 | 109.8 | O6_8—Fe8_8—O1_8 | 89.07 (16) |
H8A_9—C8_9—H8B_9 | 109.6 | O5_8—Fe8_8—O1_8 | 71.73 (13) |
O5_9—C9_9—C10_9 | 107.4 | O7_8—Fe8_8—O3_8 | 97.18 (16) |
O5_9—C9_9—H9A_9 | 109.0 | O6_8—Fe8_8—O3_8 | 84.99 (15) |
C10_9—C9_9—H9A_9 | 110.4 | O5_8—Fe8_8—O3_8 | 142.97 (15) |
O5_9—C9_9—H9B_9 | 110.3 | O1_8—Fe8_8—O3_8 | 144.14 (13) |
C10_9—C9_9—H9B_9 | 110.8 | O7_8—Fe8_8—O2_8 | 82.72 (16) |
H9A_9—C9_9—H9B_9 | 108.8 | O6_8—Fe8_8—O2_8 | 99.81 (17) |
O1_9—C10_9—C9_9 | 104.9 | O5_8—Fe8_8—O2_8 | 143.91 (14) |
O1_9—C10_9—H10A_9 | 109.6 | O1_8—Fe8_8—O2_8 | 73.16 (13) |
C9_9—C10_9—H10A_9 | 110.9 | O3_8—Fe8_8—O2_8 | 73.10 (13) |
O1_9—C10_9—H10B_9 | 110.8 | O7_8—Fe8_8—O4_8 | 89.34 (16) |
C9_9—C10_9—H10B_9 | 111.4 | O6_8—Fe8_8—O4_8 | 89.42 (17) |
H10A_9—C10_9—H10B_9 | 109.3 | O5_8—Fe8_8—O4_8 | 70.41 (13) |
Fe4_4—O6_4—H1W_4 | 120 (3) | O1_8—Fe8_8—O4_8 | 142.14 (13) |
Fe4_4—O6_4—H2W_4 | 127 (3) | O3_8—Fe8_8—O4_8 | 73.25 (13) |
H1W_4—O6_4—H2W_4 | 106 (2) | O2_8—Fe8_8—O4_8 | 144.08 (13) |
Fe4_4—O7_4—H3W_4 | 138 (3) | C10_8—O1_8—C1_8 | 111.7 (4) |
Fe4_4—O7_4—H4W_4 | 117 (3) | C10_8—O1_8—Fe8_8 | 112.5 (3) |
H3W_4—O7_4—H4W_4 | 104 (2) | C1_8—O1_8—Fe8_8 | 112.9 (3) |
O6_4—Fe4_4—O7_4 | 179.21 (17) | C2_8—O2_8—C3_8 | 114.6 (4) |
O6_4—Fe4_4—O5_4 | 90.50 (15) | C2_8—O2_8—Fe8_8 | 114.4 (3) |
O7_4—Fe4_4—O5_4 | 88.91 (15) | C3_8—O2_8—Fe8_8 | 113.3 (3) |
O6_4—Fe4_4—O2_4 | 97.57 (15) | C5_8—O3_8—C4_8 | 113.3 (4) |
O7_4—Fe4_4—O2_4 | 82.59 (15) | C5_8—O3_8—Fe8_8 | 111.9 (3) |
O5_4—Fe4_4—O2_4 | 143.31 (14) | C4_8—O3_8—Fe8_8 | 113.6 (3) |
O6_4—Fe4_4—O3_4 | 83.48 (15) | C6_8—O4_8—C7_8 | 114.1 (4) |
O7_4—Fe4_4—O3_4 | 97.30 (15) | C6_8—O4_8—Fe8_8 | 112.6 (3) |
O5_4—Fe4_4—O3_4 | 143.12 (14) | C7_8—O4_8—Fe8_8 | 112.5 (3) |
O2_4—Fe4_4—O3_4 | 73.54 (13) | C9_8—O5_8—C8_8 | 118.5 (4) |
O6_4—Fe4_4—O4_4 | 90.85 (16) | C9_8—O5_8—Fe8_8 | 119.0 (3) |
O7_4—Fe4_4—O4_4 | 89.46 (16) | C8_8—O5_8—Fe8_8 | 122.0 (3) |
O5_4—Fe4_4—O4_4 | 70.64 (13) | O1_8—C1_8—C2_8 | 106.4 (5) |
O2_4—Fe4_4—O4_4 | 144.34 (13) | O1_8—C1_8—H11_8 | 110.4 |
O3_4—Fe4_4—O4_4 | 73.10 (13) | C2_8—C1_8—H11_8 | 110.4 |
O6_4—Fe4_4—O1_4 | 89.03 (16) | O1_8—C1_8—H12_8 | 110.4 |
O7_4—Fe4_4—O1_4 | 90.27 (15) | C2_8—C1_8—H12_8 | 110.4 |
O5_4—Fe4_4—O1_4 | 71.46 (13) | H11_8—C1_8—H12_8 | 108.6 |
O2_4—Fe4_4—O1_4 | 72.95 (13) | O2_8—C2_8—C1_8 | 105.6 (4) |
O3_4—Fe4_4—O1_4 | 144.30 (13) | O2_8—C2_8—H21_8 | 110.6 |
O4_4—Fe4_4—O1_4 | 142.10 (13) | C1_8—C2_8—H21_8 | 110.6 |
C10_4—O1_4—C1_4 | 111.6 (4) | O2_8—C2_8—H22_8 | 110.6 |
C10_4—O1_4—Fe4_4 | 113.2 (3) | C1_8—C2_8—H22_8 | 110.6 |
C1_4—O1_4—Fe4_4 | 113.3 (3) | H21_8—C2_8—H22_8 | 108.7 |
C3_4—O2_4—C2_4 | 113.7 (4) | O2_8—C3_8—C4_8 | 105.8 (4) |
C3_4—O2_4—Fe4_4 | 114.2 (3) | O2_8—C3_8—H31_8 | 110.6 |
C2_4—O2_4—Fe4_4 | 114.2 (3) | C4_8—C3_8—H31_8 | 110.6 |
C5_4—O3_4—C4_4 | 114.7 (4) | O2_8—C3_8—H32_8 | 110.6 |
C5_4—O3_4—Fe4_4 | 112.9 (3) | C4_8—C3_8—H32_8 | 110.6 |
C4_4—O3_4—Fe4_4 | 112.3 (3) | H31_8—C3_8—H32_8 | 108.7 |
C7_4—O4_4—C6_4 | 113.7 (4) | O3_8—C4_8—C3_8 | 106.2 (4) |
C7_4—O4_4—Fe4_4 | 112.3 (3) | O3_8—C4_8—H41_8 | 110.5 |
C6_4—O4_4—Fe4_4 | 112.9 (3) | C3_8—C4_8—H41_8 | 110.5 |
C8_4—O5_4—C9_4 | 118.3 (4) | O3_8—C4_8—H42_8 | 110.5 |
C8_4—O5_4—Fe4_4 | 121.3 (3) | C3_8—C4_8—H42_8 | 110.5 |
C9_4—O5_4—Fe4_4 | 119.8 (3) | H41_8—C4_8—H42_8 | 108.7 |
O1_4—C1_4—C2_4 | 105.5 (4) | O3_8—C5_8—C6_8 | 105.2 (5) |
O1_4—C1_4—H11_4 | 110.6 | O3_8—C5_8—H51_8 | 110.7 |
C2_4—C1_4—H11_4 | 110.6 | C6_8—C5_8—H51_8 | 110.7 |
O1_4—C1_4—H12_4 | 110.6 | O3_8—C5_8—H52_8 | 110.7 |
C2_4—C1_4—H12_4 | 110.6 | C6_8—C5_8—H52_8 | 110.7 |
H11_4—C1_4—H12_4 | 108.8 | H51_8—C5_8—H52_8 | 108.8 |
O2_4—C2_4—C1_4 | 105.3 (4) | O4_8—C6_8—C5_8 | 106.9 (5) |
O2_4—C2_4—H21_4 | 110.7 | O4_8—C6_8—H61_8 | 110.4 |
C1_4—C2_4—H21_4 | 110.7 | C5_8—C6_8—H61_8 | 110.4 |
O2_4—C2_4—H22_4 | 110.7 | O4_8—C6_8—H62_8 | 110.4 |
C1_4—C2_4—H22_4 | 110.7 | C5_8—C6_8—H62_8 | 110.4 |
H21_4—C2_4—H22_4 | 108.8 | H61_8—C6_8—H62_8 | 108.6 |
O2_4—C3_4—C4_4 | 105.1 (4) | O4_8—C7_8—C8_8 | 106.1 (4) |
O2_4—C3_4—H31_4 | 110.7 | O4_8—C7_8—H71_8 | 110.5 |
C4_4—C3_4—H31_4 | 110.7 | C8_8—C7_8—H71_8 | 110.5 |
O2_4—C3_4—H32_4 | 110.7 | O4_8—C7_8—H72_8 | 110.5 |
C4_4—C3_4—H32_4 | 110.7 | C8_8—C7_8—H72_8 | 110.5 |
H31_4—C3_4—H32_4 | 108.8 | H71_8—C7_8—H72_8 | 108.7 |
O3_4—C4_4—C3_4 | 106.8 (4) | O5_8—C8_8—C7_8 | 106.6 (4) |
O3_4—C4_4—H41_4 | 110.4 | O5_8—C8_8—H81_8 | 110.4 |
C3_4—C4_4—H41_4 | 110.4 | C7_8—C8_8—H81_8 | 110.4 |
O3_4—C4_4—H42_4 | 110.4 | O5_8—C8_8—H82_8 | 110.4 |
C3_4—C4_4—H42_4 | 110.4 | C7_8—C8_8—H82_8 | 110.4 |
H41_4—C4_4—H42_4 | 108.6 | H81_8—C8_8—H82_8 | 108.6 |
O3_4—C5_4—C6_4 | 106.4 (4) | O5_8—C9_8—C10_8 | 105.8 (4) |
O3_4—C5_4—H51_4 | 110.4 | O5_8—C9_8—H91_8 | 110.6 |
C6_4—C5_4—H51_4 | 110.4 | C10_8—C9_8—H91_8 | 110.6 |
O3_4—C5_4—H52_4 | 110.4 | O5_8—C9_8—H92_8 | 110.6 |
C6_4—C5_4—H52_4 | 110.4 | C10_8—C9_8—H92_8 | 110.6 |
H51_4—C5_4—H52_4 | 108.6 | H91_8—C9_8—H92_8 | 108.7 |
O4_4—C6_4—C5_4 | 108.1 (5) | O1_8—C10_8—C9_8 | 105.2 (4) |
O4_4—C6_4—H61_4 | 110.1 | O1_8—C10_8—H101_8 | 110.7 |
C5_4—C6_4—H61_4 | 110.1 | C9_8—C10_8—H101_8 | 110.7 |
O4_4—C6_4—H62_4 | 110.1 | O1_8—C10_8—H102_8 | 110.7 |
C5_4—C6_4—H62_4 | 110.1 | C9_8—C10_8—H102_8 | 110.7 |
H61_4—C6_4—H62_4 | 108.4 | H101_8—C10_8—H102_8 | 108.8 |
O4_4—C7_4—C8_4 | 106.6 (5) | O8_11—N1_11—O10_11 | 124.4 (5) |
O4_4—C7_4—H71_4 | 110.4 | O8_11—N1_11—O9_11 | 118.7 (5) |
C8_4—C7_4—H71_4 | 110.4 | O10_11—N1_11—O9_11 | 116.8 (5) |
O4_4—C7_4—H72_4 | 110.4 | O8_12—N2_12—O10_12 | 123.4 (5) |
C8_4—C7_4—H72_4 | 110.4 | O8_12—N2_12—O9_12 | 120.0 (4) |
H71_4—C7_4—H72_4 | 108.6 | O10_12—N2_12—O9_12 | 116.6 (4) |
O5_4—C8_4—C7_4 | 106.1 (4) | O8_13—N3_13—O10_13 | 121.9 (5) |
O5_4—C8_4—H81_4 | 110.5 | O8_13—N3_13—O9_13 | 119.9 (5) |
C7_4—C8_4—H81_4 | 110.5 | O10_13—N3_13—O9_13 | 118.1 (5) |
O5_4—C8_4—H82_4 | 110.5 | O8_14—N4_14—O10_14 | 125.7 (5) |
C7_4—C8_4—H82_4 | 110.5 | O8_14—N4_14—O9_14 | 118.3 (5) |
H81_4—C8_4—H82_4 | 108.7 | O10_14—N4_14—O9_14 | 116.0 (5) |
O5_4—C9_4—C10_4 | 105.4 (4) | O8_15—N5_15—O10_15 | 121.4 (5) |
O5_4—C9_4—H91_4 | 110.7 | O8_15—N5_15—O9_15 | 121.5 (4) |
C10_4—C9_4—H91_4 | 110.7 | O10_15—N5_15—O9_15 | 117.0 (4) |
O5_4—C9_4—H92_4 | 110.7 | O8_16—N6_16—O10_16 | 124.2 (5) |
C10_4—C9_4—H92_4 | 110.7 | O8_16—N6_16—O9_16 | 117.5 (5) |
H91_4—C9_4—H92_4 | 108.8 | O10_16—N6_16—O9_16 | 118.3 (5) |
O1_4—C10_4—C9_4 | 105.3 (4) | O8_17—N7_17—O10_17 | 124.2 (4) |
O1_4—C10_4—H101_4 | 110.7 | O8_17—N7_17—O9_17 | 118.7 (4) |
C9_4—C10_4—H101_4 | 110.7 | O10_17—N7_17—O9_17 | 117.1 (4) |
O1_4—C10_4—H102_4 | 110.7 | O8_18—N8_18—O10_18 | 121.9 (5) |
C9_4—C10_4—H102_4 | 110.7 | O8_18—N8_18—O9_18 | 121.0 (4) |
H101_4—C10_4—H102_4 | 108.8 | O10_18—N8_18—O9_18 | 117.0 (5) |
Fe5_5—O6_5—H1W_5 | 129 (3) | O10_19—N9_19—O9_19 | 124.2 (5) |
Fe5_5—O6_5—H2W_5 | 120 (3) | O10_19—N9_19—O8_19 | 119.6 (5) |
H1W_5—O6_5—H2W_5 | 109 (2) | O9_19—N9_19—O8_19 | 116.2 (4) |
Fe5_5—O7_5—H3W_5 | 117 (3) | O9_20—N10_20—O10_20 | 123.2 (5) |
Fe5_5—O7_5—H4W_5 | 125 (3) | O9_20—N10_20—O8_20 | 119.8 (5) |
H3W_5—O7_5—H4W_5 | 109 (2) | O10_20—N10_20—O8_20 | 117.0 (5) |
O7_5—Fe5_5—O6_5 | 176.84 (16) | O10_21—N11_21—O9_21 | 123.0 (5) |
O7_5—Fe5_5—O5_5 | 90.67 (16) | O10_21—N11_21—O8_21 | 120.1 (5) |
O6_5—Fe5_5—O5_5 | 86.18 (16) | O9_21—N11_21—O8_21 | 116.8 (4) |
O7_5—Fe5_5—O2_5 | 83.06 (16) | O10_22—N12_22—O9_22 | 124.3 (5) |
O6_5—Fe5_5—O2_5 | 99.61 (16) | O10_22—N12_22—O8_22 | 118.6 (5) |
O5_5—Fe5_5—O2_5 | 143.82 (14) | O9_22—N12_22—O8_22 | 117.1 (4) |
O7_5—Fe5_5—O1_5 | 89.04 (16) | O9_23—N13_23—O10_23 | 122.1 (5) |
O6_5—Fe5_5—O1_5 | 90.11 (16) | O9_23—N13_23—O8_23 | 118.6 (5) |
O5_5—Fe5_5—O1_5 | 71.19 (13) | O10_23—N13_23—O8_23 | 119.2 (5) |
O2_5—Fe5_5—O1_5 | 73.10 (13) | O10_24—N14_24—O9_24 | 123.7 (5) |
O7_5—Fe5_5—O4_5 | 88.17 (16) | O10_24—N14_24—O8_24 | 120.1 (5) |
O6_5—Fe5_5—O4_5 | 90.61 (17) | O9_24—N14_24—O8_24 | 116.2 (4) |
O5_5—Fe5_5—O4_5 | 70.76 (13) | O10_25—N15_25—O9_25 | 123.2 (5) |
O2_5—Fe5_5—O4_5 | 144.00 (13) | O10_25—N15_25—O8_25 | 117.5 (4) |
O1_5—Fe5_5—O4_5 | 141.80 (12) | O9_25—N15_25—O8_25 | 119.2 (4) |
O7_5—Fe5_5—O3_5 | 96.68 (16) | O10_26—N16_26—O9_26 | 122.2 (5) |
O6_5—Fe5_5—O3_5 | 85.75 (15) | O10_26—N16_26—O8_26 | 120.2 (5) |
O5_5—Fe5_5—O3_5 | 142.98 (15) | O9_26—N16_26—O8_26 | 117.6 (5) |
O6_1—Fe1_1—O1_1—C1_1 | 115.3 (3) | O7_5—Fe5_5—O1_5—C10_5 | −61.4 (3) |
O7_1—Fe1_1—O1_1—C1_1 | −65.4 (3) | O6_5—Fe5_5—O1_5—C10_5 | 115.6 (3) |
O5_1—Fe1_1—O1_1—C1_1 | −157.8 (4) | O5_5—Fe5_5—O1_5—C10_5 | 29.7 (3) |
O4_1—Fe1_1—O1_1—C1_1 | −151.4 (3) | O2_5—Fe5_5—O1_5—C10_5 | −144.4 (4) |
O3_1—Fe1_1—O1_1—C1_1 | 34.0 (5) | O4_5—Fe5_5—O1_5—C10_5 | 24.5 (5) |
O2_1—Fe1_1—O1_1—C1_1 | 16.1 (3) | O3_5—Fe5_5—O1_5—C10_5 | −161.6 (3) |
O6_1—Fe1_1—O1_1—C10_1 | −116.8 (4) | O7_5—Fe5_5—O1_5—C1_5 | 67.4 (3) |
O7_1—Fe1_1—O1_1—C10_1 | 62.5 (4) | O6_5—Fe5_5—O1_5—C1_5 | −115.6 (3) |
O5_1—Fe1_1—O1_1—C10_1 | −29.8 (3) | O5_5—Fe5_5—O1_5—C1_5 | 158.5 (4) |
O4_1—Fe1_1—O1_1—C10_1 | −23.5 (5) | O2_5—Fe5_5—O1_5—C1_5 | −15.6 (3) |
O3_1—Fe1_1—O1_1—C10_1 | 161.9 (3) | O4_5—Fe5_5—O1_5—C1_5 | 153.3 (3) |
O2_1—Fe1_1—O1_1—C10_1 | 144.0 (4) | O3_5—Fe5_5—O1_5—C1_5 | −32.8 (5) |
O6_1—Fe1_1—O2_1—C3_1 | 62.9 (4) | O7_5—Fe5_5—O2_5—C3_5 | 119.0 (3) |
O7_1—Fe1_1—O2_1—C3_1 | −118.9 (4) | O6_5—Fe5_5—O2_5—C3_5 | −62.7 (3) |
O5_1—Fe1_1—O2_1—C3_1 | 159.9 (3) | O5_5—Fe5_5—O2_5—C3_5 | −159.5 (3) |
O4_1—Fe1_1—O2_1—C3_1 | −43.4 (5) | O1_5—Fe5_5—O2_5—C3_5 | −149.9 (4) |
O3_1—Fe1_1—O2_1—C3_1 | −19.3 (3) | O4_5—Fe5_5—O2_5—C3_5 | 41.8 (5) |
O1_1—Fe1_1—O2_1—C3_1 | 150.1 (4) | O3_5—Fe5_5—O2_5—C3_5 | 19.8 (3) |
O6_1—Fe1_1—O2_1—C2_1 | −69.7 (4) | O7_5—Fe5_5—O2_5—C2_5 | −107.9 (4) |
O7_1—Fe1_1—O2_1—C2_1 | 108.4 (4) | O6_5—Fe5_5—O2_5—C2_5 | 70.4 (4) |
O5_1—Fe1_1—O2_1—C2_1 | 27.3 (5) | O5_5—Fe5_5—O2_5—C2_5 | −26.3 (5) |
O4_1—Fe1_1—O2_1—C2_1 | −176.0 (3) | O1_5—Fe5_5—O2_5—C2_5 | −16.7 (4) |
O3_1—Fe1_1—O2_1—C2_1 | −151.9 (4) | O4_5—Fe5_5—O2_5—C2_5 | 175.0 (3) |
O1_1—Fe1_1—O2_1—C2_1 | 17.5 (4) | O3_5—Fe5_5—O2_5—C2_5 | 153.0 (4) |
O6_1—Fe1_1—O3_1—C5_1 | 115.0 (4) | O7_5—Fe5_5—O3_5—C4_5 | −66.6 (3) |
O7_1—Fe1_1—O3_1—C5_1 | −65.4 (4) | O6_5—Fe5_5—O3_5—C4_5 | 115.4 (3) |
O5_1—Fe1_1—O3_1—C5_1 | 36.6 (5) | O5_5—Fe5_5—O3_5—C4_5 | −166.7 (3) |
O4_1—Fe1_1—O3_1—C5_1 | 21.3 (4) | O2_5—Fe5_5—O3_5—C4_5 | 14.0 (3) |
O1_1—Fe1_1—O3_1—C5_1 | −162.2 (4) | O1_5—Fe5_5—O3_5—C4_5 | 31.3 (5) |
O2_1—Fe1_1—O3_1—C5_1 | −144.3 (4) | O4_5—Fe5_5—O3_5—C4_5 | −152.7 (4) |
O6_1—Fe1_1—O3_1—C4_1 | −114.8 (3) | O7_5—Fe5_5—O3_5—C5_5 | 62.9 (4) |
O7_1—Fe1_1—O3_1—C4_1 | 64.8 (3) | O6_5—Fe5_5—O3_5—C5_5 | −115.1 (4) |
O5_1—Fe1_1—O3_1—C4_1 | 166.7 (3) | O5_5—Fe5_5—O3_5—C5_5 | −37.2 (5) |
O4_1—Fe1_1—O3_1—C4_1 | 151.5 (4) | O2_5—Fe5_5—O3_5—C5_5 | 143.5 (4) |
O1_1—Fe1_1—O3_1—C4_1 | −32.0 (5) | O1_5—Fe5_5—O3_5—C5_5 | 160.7 (4) |
O2_1—Fe1_1—O3_1—C4_1 | −14.1 (3) | O4_5—Fe5_5—O3_5—C5_5 | −23.2 (4) |
O6_1—Fe1_1—O4_1—C7_1 | 57.8 (3) | O7_5—Fe5_5—O4_5—C6_5 | −108.6 (4) |
O7_1—Fe1_1—O4_1—C7_1 | −120.6 (3) | O6_5—Fe5_5—O4_5—C6_5 | 74.3 (4) |
O5_1—Fe1_1—O4_1—C7_1 | −28.4 (3) | O5_5—Fe5_5—O4_5—C6_5 | 160.0 (4) |
O3_1—Fe1_1—O4_1—C7_1 | 142.0 (3) | O2_5—Fe5_5—O4_5—C6_5 | −33.1 (5) |
O1_1—Fe1_1—O4_1—C7_1 | −34.8 (4) | O1_5—Fe5_5—O4_5—C6_5 | 165.2 (4) |
O2_1—Fe1_1—O4_1—C7_1 | 166.1 (3) | O3_5—Fe5_5—O4_5—C6_5 | −11.1 (4) |
O6_1—Fe1_1—O4_1—C6_1 | −74.0 (4) | O7_5—Fe5_5—O4_5—C7_5 | 119.2 (3) |
O7_1—Fe1_1—O4_1—C6_1 | 107.6 (4) | O6_5—Fe5_5—O4_5—C7_5 | −57.9 (3) |
O5_1—Fe1_1—O4_1—C6_1 | −160.1 (4) | O5_5—Fe5_5—O4_5—C7_5 | 27.9 (3) |
O3_1—Fe1_1—O4_1—C6_1 | 10.3 (3) | O2_5—Fe5_5—O4_5—C7_5 | −165.2 (3) |
O1_1—Fe1_1—O4_1—C6_1 | −166.5 (3) | O1_5—Fe5_5—O4_5—C7_5 | 33.1 (4) |
O2_1—Fe1_1—O4_1—C6_1 | 34.3 (5) | O3_5—Fe5_5—O4_5—C7_5 | −143.2 (4) |
O6_1—Fe1_1—O5_1—C8_1 | −93.2 (4) | O7_5—Fe5_5—O5_5—C9_5 | 88.9 (4) |
O7_1—Fe1_1—O5_1—C8_1 | 88.2 (4) | O6_5—Fe5_5—O5_5—C9_5 | −91.3 (4) |
O4_1—Fe1_1—O5_1—C8_1 | 0.2 (4) | O2_5—Fe5_5—O5_5—C9_5 | 9.8 (5) |
O3_1—Fe1_1—O5_1—C8_1 | −15.3 (5) | O1_5—Fe5_5—O5_5—C9_5 | 0.1 (4) |
O1_1—Fe1_1—O5_1—C8_1 | 175.9 (4) | O4_5—Fe5_5—O5_5—C9_5 | 176.7 (4) |
O2_1—Fe1_1—O5_1—C8_1 | 166.0 (4) | O3_5—Fe5_5—O5_5—C9_5 | −169.0 (4) |
O6_1—Fe1_1—O5_1—C9_1 | 91.6 (4) | O7_5—Fe5_5—O5_5—C8_5 | −88.9 (4) |
O7_1—Fe1_1—O5_1—C9_1 | −87.0 (4) | O6_5—Fe5_5—O5_5—C8_5 | 90.9 (4) |
O4_1—Fe1_1—O5_1—C9_1 | −175.1 (4) | O2_5—Fe5_5—O5_5—C8_5 | −168.0 (4) |
O3_1—Fe1_1—O5_1—C9_1 | 169.4 (3) | O1_5—Fe5_5—O5_5—C8_5 | −177.7 (4) |
O1_1—Fe1_1—O5_1—C9_1 | 0.7 (4) | O4_5—Fe5_5—O5_5—C8_5 | −1.1 (4) |
O2_1—Fe1_1—O5_1—C9_1 | −9.3 (5) | O3_5—Fe5_5—O5_5—C8_5 | 13.1 (5) |
C10_1—O1_1—C1_1—C2_1 | −173.1 (4) | C10_5—O1_5—C1_5—C2_5 | 171.3 (5) |
Fe1_1—O1_1—C1_1—C2_1 | −45.2 (5) | Fe5_5—O1_5—C1_5—C2_5 | 43.9 (5) |
C3_1—O2_1—C2_1—C1_1 | −177.2 (5) | C3_5—O2_5—C2_5—C1_5 | 177.0 (5) |
Fe1_1—O2_1—C2_1—C1_1 | −45.7 (6) | Fe5_5—O2_5—C2_5—C1_5 | 44.9 (6) |
O1_1—C1_1—C2_1—O2_1 | 58.6 (6) | O1_5—C1_5—C2_5—O2_5 | −56.7 (6) |
C2_1—O2_1—C3_1—C4_1 | 178.9 (5) | C2_5—O2_5—C3_5—C4_5 | 178.3 (5) |
Fe1_1—O2_1—C3_1—C4_1 | 47.1 (5) | Fe5_5—O2_5—C3_5—C4_5 | −49.0 (5) |
C5_1—O3_1—C4_1—C3_1 | 171.4 (4) | C5_5—O3_5—C4_5—C3_5 | −171.3 (4) |
Fe1_1—O3_1—C4_1—C3_1 | 42.9 (5) | Fe5_5—O3_5—C4_5—C3_5 | −43.8 (5) |
O2_1—C3_1—C4_1—O3_1 | −58.0 (6) | O2_5—C3_5—C4_5—O3_5 | 59.7 (6) |
C4_1—O3_1—C5_1—C6_1 | −178.4 (4) | C4_5—O3_5—C5_5—C6_5 | −180.0 (4) |
Fe1_1—O3_1—C5_1—C6_1 | −48.8 (5) | Fe5_5—O3_5—C5_5—C6_5 | 51.5 (5) |
C7_1—O4_1—C6_1—C5_1 | −170.0 (5) | C7_5—O4_5—C6_5—C5_5 | 172.5 (5) |
Fe1_1—O4_1—C6_1—C5_1 | −39.2 (5) | Fe5_5—O4_5—C6_5—C5_5 | 40.5 (5) |
O3_1—C5_1—C6_1—O4_1 | 57.2 (6) | O3_5—C5_5—C6_5—O4_5 | −59.6 (6) |
C6_1—O4_1—C7_1—C8_1 | −177.7 (4) | C6_5—O4_5—C7_5—C8_5 | 178.4 (4) |
Fe1_1—O4_1—C7_1—C8_1 | 51.2 (5) | Fe5_5—O4_5—C7_5—C8_5 | −49.0 (5) |
C9_1—O5_1—C8_1—C7_1 | −159.3 (5) | C9_5—O5_5—C8_5—C7_5 | 158.4 (5) |
Fe1_1—O5_1—C8_1—C7_1 | 25.3 (6) | Fe5_5—O5_5—C8_5—C7_5 | −23.7 (6) |
O4_1—C7_1—C8_1—O5_1 | −47.3 (6) | O4_5—C7_5—C8_5—O5_5 | 44.8 (6) |
C8_1—O5_1—C9_1—C10_1 | −149.2 (5) | C8_5—O5_5—C9_5—C10_5 | 150.6 (5) |
Fe1_1—O5_1—C9_1—C10_1 | 26.2 (5) | Fe5_5—O5_5—C9_5—C10_5 | −27.3 (5) |
C1_1—O1_1—C10_1—C9_1 | −179.3 (4) | C1_5—O1_5—C10_5—C9_5 | 178.3 (4) |
Fe1_1—O1_1—C10_1—C9_1 | 52.6 (5) | Fe5_5—O1_5—C10_5—C9_5 | −53.2 (5) |
O5_1—C9_1—C10_1—O1_1 | −48.8 (5) | O5_5—C9_5—C10_5—O1_5 | 50.6 (5) |
O7_2—Fe2_2—O1_2—C1_2 | 67.9 (3) | O6_6—Fe6_6—O1_6—C1_6 | 117.9 (4) |
O6_2—Fe2_2—O1_2—C1_2 | −115.5 (3) | O7_6—Fe6_6—O1_6—C1_6 | −64.6 (4) |
O2_2—Fe2_2—O1_2—C1_2 | −15.7 (3) | O5_6—Fe6_6—O1_6—C1_6 | −155.2 (4) |
O5_2—Fe2_2—O1_2—C1_2 | 156.8 (4) | O3_6—Fe6_6—O1_6—C1_6 | 35.3 (5) |
O4_2—Fe2_2—O1_2—C1_2 | 154.7 (3) | O4_6—Fe6_6—O1_6—C1_6 | −150.9 (3) |
O3_2—Fe2_2—O1_2—C1_2 | −34.7 (5) | O2_6—Fe6_6—O1_6—C1_6 | 16.5 (3) |
O7_2—Fe2_2—O1_2—C10_2 | −61.8 (4) | O6_6—Fe6_6—O1_6—C10_6 | −113.6 (3) |
O6_2—Fe2_2—O1_2—C10_2 | 114.8 (3) | O7_6—Fe6_6—O1_6—C10_6 | 63.9 (4) |
O2_2—Fe2_2—O1_2—C10_2 | −145.4 (4) | O5_6—Fe6_6—O1_6—C10_6 | −26.7 (3) |
O5_2—Fe2_2—O1_2—C10_2 | 27.1 (3) | O3_6—Fe6_6—O1_6—C10_6 | 163.7 (3) |
O4_2—Fe2_2—O1_2—C10_2 | 25.0 (5) | O4_6—Fe6_6—O1_6—C10_6 | −22.5 (4) |
O3_2—Fe2_2—O1_2—C10_2 | −164.4 (3) | O2_6—Fe6_6—O1_6—C10_6 | 144.9 (4) |
O7_2—Fe2_2—O2_2—C2_2 | −108.7 (4) | O6_6—Fe6_6—O2_6—C2_6 | −68.2 (4) |
O6_2—Fe2_2—O2_2—C2_2 | 70.3 (4) | O7_6—Fe6_6—O2_6—C2_6 | 109.8 (4) |
O5_2—Fe2_2—O2_2—C2_2 | −28.6 (5) | O5_6—Fe6_6—O2_6—C2_6 | 31.2 (5) |
O4_2—Fe2_2—O2_2—C2_2 | 173.5 (3) | O3_6—Fe6_6—O2_6—C2_6 | −150.8 (4) |
O3_2—Fe2_2—O2_2—C2_2 | 151.9 (4) | O4_6—Fe6_6—O2_6—C2_6 | −175.7 (3) |
O1_2—Fe2_2—O2_2—C2_2 | −16.7 (4) | O1_6—Fe6_6—O2_6—C2_6 | 17.9 (4) |
O7_2—Fe2_2—O2_2—C3_2 | 117.6 (3) | O6_6—Fe6_6—O2_6—C3_6 | 63.5 (3) |
O6_2—Fe2_2—O2_2—C3_2 | −63.4 (3) | O7_6—Fe6_6—O2_6—C3_6 | −118.5 (4) |
O5_2—Fe2_2—O2_2—C3_2 | −162.2 (3) | O5_6—Fe6_6—O2_6—C3_6 | 162.8 (3) |
O4_2—Fe2_2—O2_2—C3_2 | 39.9 (5) | O3_6—Fe6_6—O2_6—C3_6 | −19.1 (3) |
O3_2—Fe2_2—O2_2—C3_2 | 18.3 (3) | O4_6—Fe6_6—O2_6—C3_6 | −44.0 (5) |
O1_2—Fe2_2—O2_2—C3_2 | −150.4 (4) | O1_6—Fe6_6—O2_6—C3_6 | 149.6 (4) |
O7_2—Fe2_2—O3_2—C4_2 | −65.7 (3) | O6_6—Fe6_6—O3_6—C5_6 | 112.9 (4) |
O6_2—Fe2_2—O3_2—C4_2 | 117.1 (3) | O7_6—Fe6_6—O3_6—C5_6 | −65.8 (4) |
O2_2—Fe2_2—O3_2—C4_2 | 15.8 (3) | O5_6—Fe6_6—O3_6—C5_6 | 33.4 (5) |
O5_2—Fe2_2—O3_2—C4_2 | −163.7 (3) | O4_6—Fe6_6—O3_6—C5_6 | 20.7 (4) |
O4_2—Fe2_2—O3_2—C4_2 | −151.3 (3) | O2_6—Fe6_6—O3_6—C5_6 | −144.6 (4) |
O1_2—Fe2_2—O3_2—C4_2 | 34.7 (5) | O1_6—Fe6_6—O3_6—C5_6 | −163.3 (4) |
O7_2—Fe2_2—O3_2—C5_2 | 63.2 (4) | O6_6—Fe6_6—O3_6—C4_6 | −116.5 (3) |
O6_2—Fe2_2—O3_2—C5_2 | −114.0 (4) | O7_6—Fe6_6—O3_6—C4_6 | 64.8 (3) |
O2_2—Fe2_2—O3_2—C5_2 | 144.6 (4) | O5_6—Fe6_6—O3_6—C4_6 | 164.0 (3) |
O5_2—Fe2_2—O3_2—C5_2 | −34.8 (5) | O4_6—Fe6_6—O3_6—C4_6 | 151.3 (4) |
O4_2—Fe2_2—O3_2—C5_2 | −22.5 (3) | O2_6—Fe6_6—O3_6—C4_6 | −14.0 (3) |
O1_2—Fe2_2—O3_2—C5_2 | 163.6 (3) | O1_6—Fe6_6—O3_6—C4_6 | −32.7 (5) |
O7_2—Fe2_2—O4_2—C6_2 | −110.3 (4) | O6_6—Fe6_6—O4_6—C7_6 | 55.7 (3) |
O6_2—Fe2_2—O4_2—C6_2 | 72.4 (4) | O7_6—Fe6_6—O4_6—C7_6 | −121.6 (3) |
O2_2—Fe2_2—O4_2—C6_2 | −33.8 (5) | O5_6—Fe6_6—O4_6—C7_6 | −30.7 (3) |
O5_2—Fe2_2—O4_2—C6_2 | 160.0 (4) | O3_6—Fe6_6—O4_6—C7_6 | 141.3 (3) |
O3_2—Fe2_2—O4_2—C6_2 | −12.2 (3) | O2_6—Fe6_6—O4_6—C7_6 | 166.1 (3) |
O1_2—Fe2_2—O4_2—C6_2 | 162.1 (3) | O1_6—Fe6_6—O4_6—C7_6 | −34.9 (4) |
O7_2—Fe2_2—O4_2—C7_2 | 119.9 (3) | O6_6—Fe6_6—O4_6—C6_6 | −74.2 (4) |
O6_2—Fe2_2—O4_2—C7_2 | −57.5 (3) | O7_6—Fe6_6—O4_6—C6_6 | 108.5 (4) |
O2_2—Fe2_2—O4_2—C7_2 | −163.6 (3) | O5_6—Fe6_6—O4_6—C6_6 | −160.6 (4) |
O5_2—Fe2_2—O4_2—C7_2 | 30.2 (3) | O3_6—Fe6_6—O4_6—C6_6 | 11.4 (4) |
O3_2—Fe2_2—O4_2—C7_2 | −142.1 (3) | O2_6—Fe6_6—O4_6—C6_6 | 36.2 (5) |
O1_2—Fe2_2—O4_2—C7_2 | 32.3 (4) | O1_6—Fe6_6—O4_6—C6_6 | −164.8 (3) |
O7_2—Fe2_2—O5_2—C9_2 | 93.0 (4) | O6_6—Fe6_6—O5_6—C8_6 | −89.5 (4) |
O6_2—Fe2_2—O5_2—C9_2 | −88.1 (4) | O7_6—Fe6_6—O5_6—C8_6 | 90.9 (4) |
O2_2—Fe2_2—O5_2—C9_2 | 14.6 (5) | O3_6—Fe6_6—O5_6—C8_6 | −10.3 (5) |
O4_2—Fe2_2—O5_2—C9_2 | −178.9 (4) | O4_6—Fe6_6—O5_6—C8_6 | 2.8 (4) |
O3_2—Fe2_2—O5_2—C9_2 | −166.3 (4) | O2_6—Fe6_6—O5_6—C8_6 | 166.6 (4) |
O1_2—Fe2_2—O5_2—C9_2 | 2.5 (4) | O1_6—Fe6_6—O5_6—C8_6 | 180.0 (4) |
O7_2—Fe2_2—O5_2—C8_2 | −90.4 (4) | O6_6—Fe6_6—O5_6—C9_6 | 88.0 (4) |
O6_2—Fe2_2—O5_2—C8_2 | 88.5 (4) | O7_6—Fe6_6—O5_6—C9_6 | −91.6 (4) |
O2_2—Fe2_2—O5_2—C8_2 | −168.9 (4) | O3_6—Fe6_6—O5_6—C9_6 | 167.2 (3) |
O4_2—Fe2_2—O5_2—C8_2 | −2.3 (4) | O4_6—Fe6_6—O5_6—C9_6 | −179.7 (4) |
O3_2—Fe2_2—O5_2—C8_2 | 10.3 (5) | O2_6—Fe6_6—O5_6—C9_6 | −15.9 (5) |
O1_2—Fe2_2—O5_2—C8_2 | 179.1 (4) | O1_6—Fe6_6—O5_6—C9_6 | −2.5 (4) |
C10_2—O1_2—C1_2—C2_2 | 171.8 (4) | C10_6—O1_6—C1_6—C2_6 | −173.1 (4) |
Fe2_2—O1_2—C1_2—C2_2 | 43.6 (5) | Fe6_6—O1_6—C1_6—C2_6 | −45.7 (5) |
C3_2—O2_2—C2_2—C1_2 | 177.4 (5) | C3_6—O2_6—C2_6—C1_6 | −176.9 (5) |
Fe2_2—O2_2—C2_2—C1_2 | 44.5 (6) | Fe6_6—O2_6—C2_6—C1_6 | −46.8 (6) |
O1_2—C1_2—C2_2—O2_2 | −56.6 (6) | O1_6—C1_6—C2_6—O2_6 | 59.9 (6) |
C2_2—O2_2—C3_2—C4_2 | 177.9 (5) | C2_6—O2_6—C3_6—C4_6 | 177.9 (5) |
Fe2_2—O2_2—C3_2—C4_2 | −48.4 (5) | Fe6_6—O2_6—C3_6—C4_6 | 47.4 (5) |
C5_2—O3_2—C4_2—C3_2 | −172.1 (4) | C5_6—O3_6—C4_6—C3_6 | 171.4 (4) |
Fe2_2—O3_2—C4_2—C3_2 | −45.4 (5) | Fe6_6—O3_6—C4_6—C3_6 | 42.7 (5) |
O2_2—C3_2—C4_2—O3_2 | 60.2 (6) | O2_6—C3_6—C4_6—O3_6 | −58.3 (6) |
C4_2—O3_2—C5_2—C6_2 | 179.1 (4) | C4_6—O3_6—C5_6—C6_6 | −179.2 (4) |
Fe2_2—O3_2—C5_2—C6_2 | 51.5 (5) | Fe6_6—O3_6—C5_6—C6_6 | −49.2 (5) |
C7_2—O4_2—C6_2—C5_2 | 171.4 (4) | C7_6—O4_6—C6_6—C5_6 | −169.4 (5) |
Fe2_2—O4_2—C6_2—C5_2 | 41.9 (5) | Fe6_6—O4_6—C6_6—C5_6 | −40.1 (5) |
O3_2—C5_2—C6_2—O4_2 | −60.6 (5) | O3_6—C5_6—C6_6—O4_6 | 58.3 (6) |
C6_2—O4_2—C7_2—C8_2 | 177.5 (4) | C6_6—O4_6—C7_6—C8_6 | −177.8 (4) |
Fe2_2—O4_2—C7_2—C8_2 | −52.1 (5) | Fe6_6—O4_6—C7_6—C8_6 | 52.7 (5) |
C9_2—O5_2—C8_2—C7_2 | 152.8 (5) | C9_6—O5_6—C8_6—C7_6 | −154.5 (5) |
Fe2_2—O5_2—C8_2—C7_2 | −23.9 (6) | Fe6_6—O5_6—C8_6—C7_6 | 23.0 (6) |
O4_2—C7_2—C8_2—O5_2 | 46.9 (6) | O4_6—C7_6—C8_6—O5_6 | −46.9 (6) |
C8_2—O5_2—C9_2—C10_2 | 153.8 (5) | C8_6—O5_6—C9_6—C10_6 | −152.9 (5) |
Fe2_2—O5_2—C9_2—C10_2 | −29.5 (5) | Fe6_6—O5_6—C9_6—C10_6 | 29.5 (5) |
C1_2—O1_2—C10_2—C9_2 | −179.7 (4) | C1_6—O1_6—C10_6—C9_6 | 179.5 (5) |
Fe2_2—O1_2—C10_2—C9_2 | −51.3 (5) | Fe6_6—O1_6—C10_6—C9_6 | 51.4 (5) |
O5_2—C9_2—C10_2—O1_2 | 50.7 (5) | O5_6—C9_6—C10_6—O1_6 | −50.7 (5) |
Fe9_9—O6_3—Fe3_3—O7_3 | 0 (5) | Fe10_10—O7_7—Fe7_7—O6_7 | −39 (4) |
Fe9_9—O6_3—Fe3_3—O5_3 | −2 (3) | Fe10_10—O7_7—Fe7_7—O5_7 | −10 (2) |
Fe9_9—O6_3—Fe3_3—O3_3 | −146 (3) | Fe10_10—O7_7—Fe7_7—O2_7 | 134 (2) |
Fe9_9—O6_3—Fe3_3—O4_3 | −72 (3) | Fe10_10—O7_7—Fe7_7—O4_7 | −81 (2) |
Fe9_9—O6_3—Fe3_3—O1_3 | 70 (3) | Fe10_10—O7_7—Fe7_7—O3_7 | −154 (2) |
Fe9_9—O6_3—Fe3_3—O2_3 | 142 (3) | Fe10_10—O7_7—Fe7_7—O1_7 | 61 (2) |
Fe9_9—O7_3—Fe3_3—O6_3 | 0 (5) | Fe10_10—O6_7—Fe7_7—O7_7 | 37 (4) |
Fe9_9—O7_3—Fe3_3—O5_3 | 2 (3) | Fe10_10—O6_7—Fe7_7—O5_7 | 8 (2) |
Fe9_9—O7_3—Fe3_3—O3_3 | 146 (3) | Fe10_10—O6_7—Fe7_7—O2_7 | −135 (2) |
Fe9_9—O7_3—Fe3_3—O4_3 | 72 (3) | Fe10_10—O6_7—Fe7_7—O4_7 | 79 (2) |
Fe9_9—O7_3—Fe3_3—O1_3 | −70 (3) | Fe10_10—O6_7—Fe7_7—O3_7 | 153 (2) |
Fe9_9—O7_3—Fe3_3—O2_3 | −143 (3) | Fe10_10—O6_7—Fe7_7—O1_7 | −63 (2) |
O6_3—Fe3_3—O1_3—C1_3 | 118.8 (3) | O7_7—Fe7_7—O1_7—C1_7 | 68.0 (3) |
O7_3—Fe3_3—O1_3—C1_3 | −64.0 (3) | O6_7—Fe7_7—O1_7—C1_7 | −115.6 (3) |
O5_3—Fe3_3—O1_3—C1_3 | −151.7 (3) | O5_7—Fe7_7—O1_7—C1_7 | 152.7 (3) |
O3_3—Fe3_3—O1_3—C1_3 | 37.9 (4) | O2_7—Fe7_7—O1_7—C1_7 | −15.0 (3) |
O4_3—Fe3_3—O1_3—C1_3 | −153.4 (3) | O4_7—Fe7_7—O1_7—C1_7 | 158.1 (3) |
O2_3—Fe3_3—O1_3—C1_3 | 16.4 (3) | O3_7—Fe7_7—O1_7—C1_7 | −37.4 (4) |
O6_3—Fe3_3—O1_3—C10_3 | −111.9 (3) | O7_7—Fe7_7—O1_7—C10_7 | −61.8 (3) |
O7_3—Fe3_3—O1_3—C10_3 | 65.4 (3) | O6_7—Fe7_7—O1_7—C10_7 | 114.5 (3) |
O5_3—Fe3_3—O1_3—C10_3 | −22.4 (3) | O5_7—Fe7_7—O1_7—C10_7 | 22.8 (3) |
O3_3—Fe3_3—O1_3—C10_3 | 167.2 (3) | O2_7—Fe7_7—O1_7—C10_7 | −144.9 (3) |
O4_3—Fe3_3—O1_3—C10_3 | −24.1 (4) | O4_7—Fe7_7—O1_7—C10_7 | 28.2 (4) |
O2_3—Fe3_3—O1_3—C10_3 | 145.7 (3) | O3_7—Fe7_7—O1_7—C10_7 | −167.3 (3) |
O6_3—Fe3_3—O2_3—C2_3 | −67.5 (3) | O7_7—Fe7_7—O2_7—C2_7 | −111.7 (3) |
O7_3—Fe3_3—O2_3—C2_3 | 110.7 (3) | O6_7—Fe7_7—O2_7—C2_7 | 67.8 (3) |
O5_3—Fe3_3—O2_3—C2_3 | 36.2 (4) | O5_7—Fe7_7—O2_7—C2_7 | −36.5 (4) |
O3_3—Fe3_3—O2_3—C2_3 | −149.3 (3) | O4_7—Fe7_7—O2_7—C2_7 | 169.9 (3) |
O4_3—Fe3_3—O2_3—C2_3 | −173.3 (3) | O3_7—Fe7_7—O2_7—C2_7 | 148.8 (3) |
O1_3—Fe3_3—O2_3—C2_3 | 17.3 (3) | O1_7—Fe7_7—O2_7—C2_7 | −17.5 (3) |
O6_3—Fe3_3—O2_3—C3_3 | 63.9 (3) | O7_7—Fe7_7—O2_7—C3_7 | 114.9 (3) |
O7_3—Fe3_3—O2_3—C3_3 | −117.9 (3) | O6_7—Fe7_7—O2_7—C3_7 | −65.6 (3) |
O5_3—Fe3_3—O2_3—C3_3 | 167.6 (3) | O5_7—Fe7_7—O2_7—C3_7 | −169.9 (3) |
O3_3—Fe3_3—O2_3—C3_3 | −17.9 (3) | O4_7—Fe7_7—O2_7—C3_7 | 36.5 (4) |
O4_3—Fe3_3—O2_3—C3_3 | −41.9 (4) | O3_7—Fe7_7—O2_7—C3_7 | 15.4 (3) |
O1_3—Fe3_3—O2_3—C3_3 | 148.8 (3) | O1_7—Fe7_7—O2_7—C3_7 | −150.9 (3) |
O6_3—Fe3_3—O3_3—C5_3 | 111.7 (3) | O7_7—Fe7_7—O3_7—C5_7 | 66.5 (3) |
O7_3—Fe3_3—O3_3—C5_3 | −66.7 (3) | O6_7—Fe7_7—O3_7—C5_7 | −110.1 (3) |
O5_3—Fe3_3—O3_3—C5_3 | 29.2 (4) | O5_7—Fe7_7—O3_7—C5_7 | −26.3 (4) |
O4_3—Fe3_3—O3_3—C5_3 | 20.7 (3) | O2_7—Fe7_7—O3_7—C5_7 | 148.0 (3) |
O1_3—Fe3_3—O3_3—C5_3 | −166.5 (3) | O4_7—Fe7_7—O3_7—C5_7 | −19.5 (3) |
O2_3—Fe3_3—O3_3—C5_3 | −145.0 (3) | O1_7—Fe7_7—O3_7—C5_7 | 170.4 (3) |
O6_3—Fe3_3—O3_3—C4_3 | −118.2 (3) | O7_7—Fe7_7—O3_7—C4_7 | −62.6 (3) |
O7_3—Fe3_3—O3_3—C4_3 | 63.5 (3) | O6_7—Fe7_7—O3_7—C4_7 | 120.7 (3) |
O5_3—Fe3_3—O3_3—C4_3 | 159.4 (3) | O5_7—Fe7_7—O3_7—C4_7 | −155.5 (3) |
O4_3—Fe3_3—O3_3—C4_3 | 150.8 (3) | O2_7—Fe7_7—O3_7—C4_7 | 18.8 (3) |
O1_3—Fe3_3—O3_3—C4_3 | −36.4 (4) | O4_7—Fe7_7—O3_7—C4_7 | −148.7 (3) |
O2_3—Fe3_3—O3_3—C4_3 | −14.8 (3) | O1_7—Fe7_7—O3_7—C4_7 | 41.2 (4) |
O6_3—Fe3_3—O4_3—C6_3 | −73.2 (3) | O7_7—Fe7_7—O4_7—C6_7 | −112.8 (3) |
O7_3—Fe3_3—O4_3—C6_3 | 109.6 (3) | O6_7—Fe7_7—O4_7—C6_7 | 69.7 (3) |
O5_3—Fe3_3—O4_3—C6_3 | −162.3 (3) | O5_7—Fe7_7—O4_7—C6_7 | 161.2 (4) |
O3_3—Fe3_3—O4_3—C6_3 | 12.4 (3) | O2_7—Fe7_7—O4_7—C6_7 | −35.6 (4) |
O1_3—Fe3_3—O4_3—C6_3 | −160.6 (3) | O3_7—Fe7_7—O4_7—C6_7 | −14.6 (3) |
O2_3—Fe3_3—O4_3—C6_3 | 36.2 (4) | O1_7—Fe7_7—O4_7—C6_7 | 155.8 (3) |
O6_3—Fe3_3—O4_3—C7_3 | 56.5 (3) | O7_7—Fe7_7—O4_7—C7_7 | 118.5 (3) |
O7_3—Fe3_3—O4_3—C7_3 | −120.7 (3) | O6_7—Fe7_7—O4_7—C7_7 | −59.0 (3) |
O5_3—Fe3_3—O4_3—C7_3 | −32.6 (3) | O5_7—Fe7_7—O4_7—C7_7 | 32.5 (3) |
O3_3—Fe3_3—O4_3—C7_3 | 142.1 (3) | O2_7—Fe7_7—O4_7—C7_7 | −164.4 (3) |
O1_3—Fe3_3—O4_3—C7_3 | −30.8 (4) | O3_7—Fe7_7—O4_7—C7_7 | −143.3 (3) |
O2_3—Fe3_3—O4_3—C7_3 | 165.9 (3) | O1_7—Fe7_7—O4_7—C7_7 | 27.1 (4) |
O6_3—Fe3_3—O5_3—C9_3 | 80.8 (4) | O7_7—Fe7_7—O5_7—C9_7 | 103.4 (4) |
O7_3—Fe3_3—O5_3—C9_3 | −99.1 (4) | O6_7—Fe7_7—O5_7—C9_7 | −78.4 (4) |
O3_3—Fe3_3—O5_3—C9_3 | 162.2 (3) | O2_7—Fe7_7—O5_7—C9_7 | 28.8 (5) |
O4_3—Fe3_3—O5_3—C9_3 | 170.9 (4) | O4_7—Fe7_7—O5_7—C9_7 | −166.9 (4) |
O1_3—Fe3_3—O5_3—C9_3 | −8.0 (3) | O3_7—Fe7_7—O5_7—C9_7 | −160.0 (3) |
O2_3—Fe3_3—O5_3—C9_3 | −27.0 (5) | O1_7—Fe7_7—O5_7—C9_7 | 9.6 (3) |
O6_3—Fe3_3—O5_3—C8_3 | −82.6 (4) | O7_7—Fe7_7—O5_7—C8_7 | −97.4 (4) |
O7_3—Fe3_3—O5_3—C8_3 | 97.4 (4) | O6_7—Fe7_7—O5_7—C8_7 | 80.8 (4) |
O3_3—Fe3_3—O5_3—C8_3 | −1.3 (5) | O2_7—Fe7_7—O5_7—C8_7 | −172.0 (3) |
O4_3—Fe3_3—O5_3—C8_3 | 7.5 (3) | O4_7—Fe7_7—O5_7—C8_7 | −7.7 (3) |
O1_3—Fe3_3—O5_3—C8_3 | −171.4 (4) | O3_7—Fe7_7—O5_7—C8_7 | −0.8 (5) |
O2_3—Fe3_3—O5_3—C8_3 | 169.6 (3) | O1_7—Fe7_7—O5_7—C8_7 | 168.8 (4) |
C10_3—O1_3—C1_3—C2_3 | −173.8 (4) | C10_7—O1_7—C1_7—C2_7 | 173.1 (4) |
Fe3_3—O1_3—C1_3—C2_3 | −45.2 (5) | Fe7_7—O1_7—C1_7—C2_7 | 43.7 (5) |
C3_3—O2_3—C2_3—C1_3 | −176.4 (4) | C3_7—O2_7—C2_7—C1_7 | 177.8 (4) |
Fe3_3—O2_3—C2_3—C1_3 | −45.7 (5) | Fe7_7—O2_7—C2_7—C1_7 | 45.4 (5) |
O1_3—C1_3—C2_3—O2_3 | 58.8 (5) | O1_7—C1_7—C2_7—O2_7 | −57.4 (5) |
C2_3—O2_3—C3_3—C4_3 | 177.1 (4) | C2_7—O2_7—C3_7—C4_7 | −178.4 (4) |
Fe3_3—O2_3—C3_3—C4_3 | 46.2 (5) | Fe7_7—O2_7—C3_7—C4_7 | −45.3 (4) |
C5_3—O3_3—C4_3—C3_3 | 172.2 (4) | C5_7—O3_7—C4_7—C3_7 | −175.9 (4) |
Fe3_3—O3_3—C4_3—C3_3 | 43.5 (4) | Fe7_7—O3_7—C4_7—C3_7 | −47.6 (4) |
O2_3—C3_3—C4_3—O3_3 | −57.5 (5) | O2_7—C3_7—C4_7—O3_7 | 59.8 (5) |
C4_3—O3_3—C5_3—C6_3 | −178.7 (4) | C4_7—O3_7—C5_7—C6_7 | 176.4 (4) |
Fe3_3—O3_3—C5_3—C6_3 | −48.6 (4) | Fe7_7—O3_7—C5_7—C6_7 | 47.8 (5) |
C7_3—O4_3—C6_3—C5_3 | −170.2 (4) | C7_7—O4_7—C6_7—C5_7 | 170.7 (4) |
Fe3_3—O4_3—C6_3—C5_3 | −41.5 (5) | Fe7_7—O4_7—C6_7—C5_7 | 43.1 (5) |
O3_3—C5_3—C6_3—O4_3 | 58.9 (5) | O3_7—C5_7—C6_7—O4_7 | −59.0 (5) |
C6_3—O4_3—C7_3—C8_3 | −178.2 (4) | C6_7—O4_7—C7_7—C8_7 | 178.5 (4) |
Fe3_3—O4_3—C7_3—C8_3 | 52.5 (4) | Fe7_7—O4_7—C7_7—C8_7 | −52.6 (4) |
C9_3—O5_3—C8_3—C7_3 | −147.0 (4) | C9_7—O5_7—C8_7—C7_7 | 142.1 (4) |
Fe3_3—O5_3—C8_3—C7_3 | 16.9 (5) | Fe7_7—O5_7—C8_7—C7_7 | −17.2 (5) |
O4_3—C7_3—C8_3—O5_3 | −43.3 (5) | O4_7—C7_7—C8_7—O5_7 | 43.9 (5) |
C8_3—O5_3—C9_3—C10_3 | −161.7 (4) | C8_7—O5_7—C9_7—C10_7 | 162.6 (4) |
Fe3_3—O5_3—C9_3—C10_3 | 34.1 (5) | Fe7_7—O5_7—C9_7—C10_7 | −37.6 (5) |
C1_3—O1_3—C10_3—C9_3 | 176.9 (4) | C1_7—O1_7—C10_7—C9_7 | −178.1 (4) |
Fe3_3—O1_3—C10_3—C9_3 | 47.8 (4) | Fe7_7—O1_7—C10_7—C9_7 | −49.0 (4) |
O5_3—C9_3—C10_3—O1_3 | −51.5 (5) | O5_7—C9_7—C10_7—O1_7 | 54.1 (5) |
Fe3_3—O6_3—Fe9_9—O5_9 | −3 (3) | Fe7_7—O7_7—Fe10_10—O5_10 | −11 (2) |
Fe3_3—O6_3—Fe9_9—O7_3 | 0 (2) | Fe7_7—O7_7—Fe10_10—O3_10 | −154 (2) |
Fe3_3—O6_3—Fe9_9—O3_9 | −146 (3) | Fe7_7—O7_7—Fe10_10—O2_10 | 133 (2) |
Fe3_3—O6_3—Fe9_9—O2_9 | 142 (3) | Fe7_7—O7_7—Fe10_10—O1_10 | 62 (2) |
Fe3_3—O6_3—Fe9_9—O1_9 | 71 (3) | Fe7_7—O7_7—Fe10_10—O4_10 | −81 (2) |
Fe3_3—O6_3—Fe9_9—O4_9 | −74 (3) | Fe7_7—O7_7—Fe10_10—O6_7 | 17.8 (19) |
Fe3_3—O7_3—Fe9_9—O6_3 | 0 (2) | Fe7_7—O6_7—Fe10_10—O7_7 | −20 (2) |
Fe3_3—O7_3—Fe9_9—O5_9 | 3 (3) | Fe7_7—O6_7—Fe10_10—O5_10 | 9 (2) |
Fe3_3—O7_3—Fe9_9—O3_9 | 146 (3) | Fe7_7—O6_7—Fe10_10—O3_10 | 152 (2) |
Fe3_3—O7_3—Fe9_9—O2_9 | −141 (3) | Fe7_7—O6_7—Fe10_10—O2_10 | −136 (2) |
Fe3_3—O7_3—Fe9_9—O1_9 | −71 (3) | Fe7_7—O6_7—Fe10_10—O1_10 | −64 (2) |
Fe3_3—O7_3—Fe9_9—O4_9 | 74 (3) | Fe7_7—O6_7—Fe10_10—O4_10 | 79 (2) |
O6_3—Fe9_9—O1_9—C10_9 | −61.6 (3) | O7_7—Fe10_10—O1_10—C10_10 | −113.2 (3) |
O5_9—Fe9_9—O1_9—C10_9 | 26.5 | O5_10—Fe10_10—O1_10—C10_10 | −25.6 |
O7_3—Fe9_9—O1_9—C10_9 | 112.4 (4) | O3_10—Fe10_10—O1_10—C10_10 | 163.2 |
O3_9—Fe9_9—O1_9—C10_9 | −162.3 | O2_10—Fe10_10—O1_10—C10_10 | 148.4 |
O2_9—Fe9_9—O1_9—C10_9 | −147.7 | O4_10—Fe10_10—O1_10—C10_10 | −23.8 |
O4_9—Fe9_9—O1_9—C10_9 | 26.1 | O6_7—Fe10_10—O1_10—C10_10 | 61.9 (3) |
O6_3—Fe9_9—O1_9—C1_9 | 67.8 (3) | O7_7—Fe10_10—O1_10—C1_10 | 115.8 (3) |
O5_9—Fe9_9—O1_9—C1_9 | 156.0 | O5_10—Fe10_10—O1_10—C1_10 | −156.6 |
O7_3—Fe9_9—O1_9—C1_9 | −118.1 (4) | O3_10—Fe10_10—O1_10—C1_10 | 32.2 |
O3_9—Fe9_9—O1_9—C1_9 | −32.8 | O2_10—Fe10_10—O1_10—C1_10 | 17.4 |
O2_9—Fe9_9—O1_9—C1_9 | −18.3 | O4_10—Fe10_10—O1_10—C1_10 | −154.8 |
O4_9—Fe9_9—O1_9—C1_9 | 155.5 | O6_7—Fe10_10—O1_10—C1_10 | −69.1 (3) |
O6_3—Fe9_9—O2_9—C3_9 | 115.6 (3) | O7_7—Fe10_10—O2_10—C3_10 | 69.2 (3) |
O5_9—Fe9_9—O2_9—C3_9 | −164.0 | O5_10—Fe10_10—O2_10—C3_10 | 163.8 |
O7_3—Fe9_9—O2_9—C3_9 | −68.4 (4) | O3_10—Fe10_10—O2_10—C3_10 | −16.9 |
O3_9—Fe9_9—O2_9—C3_9 | 16.4 | O1_10—Fe10_10—O2_10—C3_10 | 154.0 |
O1_9—Fe9_9—O2_9—C3_9 | −154.5 | O4_10—Fe10_10—O2_10—C3_10 | −34.2 |
O4_9—Fe9_9—O2_9—C3_9 | 31.7 | O6_7—Fe10_10—O2_10—C3_10 | −117.1 (3) |
O6_3—Fe9_9—O2_9—C2_9 | −102.9 (4) | O7_7—Fe10_10—O2_10—C2_10 | −69.6 (3) |
O5_9—Fe9_9—O2_9—C2_9 | −22.4 | O5_10—Fe10_10—O2_10—C2_10 | 25.0 |
O7_3—Fe9_9—O2_9—C2_9 | 73.2 (4) | O3_10—Fe10_10—O2_10—C2_10 | −155.7 |
O3_9—Fe9_9—O2_9—C2_9 | 158.0 | O1_10—Fe10_10—O2_10—C2_10 | 15.2 |
O1_9—Fe9_9—O2_9—C2_9 | −12.9 | O4_10—Fe10_10—O2_10—C2_10 | −173.0 |
O4_9—Fe9_9—O2_9—C2_9 | 173.3 | O6_7—Fe10_10—O2_10—C2_10 | 104.0 (3) |
O6_3—Fe9_9—O3_9—C5_9 | 68.1 (4) | O7_7—Fe10_10—O3_10—C4_10 | −113.4 (3) |
O5_9—Fe9_9—O3_9—C5_9 | −28.2 | O5_10—Fe10_10—O3_10—C4_10 | 164.0 |
O7_3—Fe9_9—O3_9—C5_9 | −108.4 (4) | O2_10—Fe10_10—O3_10—C4_10 | −15.4 |
O2_9—Fe9_9—O3_9—C5_9 | 151.4 | O1_10—Fe10_10—O3_10—C4_10 | −30.1 |
O1_9—Fe9_9—O3_9—C5_9 | 165.8 | O4_10—Fe10_10—O3_10—C4_10 | 154.3 |
O4_9—Fe9_9—O3_9—C5_9 | −19.3 | O6_7—Fe10_10—O3_10—C4_10 | 67.6 (3) |
O6_3—Fe9_9—O3_9—C4_9 | −67.5 (4) | O7_7—Fe10_10—O3_10—C5_10 | 111.6 (3) |
O5_9—Fe9_9—O3_9—C4_9 | −163.8 | O5_10—Fe10_10—O3_10—C5_10 | 28.9 |
O7_3—Fe9_9—O3_9—C4_9 | 116.0 (4) | O2_10—Fe10_10—O3_10—C5_10 | −150.4 |
O2_9—Fe9_9—O3_9—C4_9 | 15.9 | O1_10—Fe10_10—O3_10—C5_10 | −165.2 |
O1_9—Fe9_9—O3_9—C4_9 | 30.3 | O4_10—Fe10_10—O3_10—C5_10 | 19.2 |
O4_9—Fe9_9—O3_9—C4_9 | −154.8 | O6_7—Fe10_10—O3_10—C5_10 | −67.4 (3) |
O6_3—Fe9_9—O4_9—C6_9 | −111.8 (3) | O7_7—Fe10_10—O4_10—C6_10 | −73.7 (3) |
O5_9—Fe9_9—O4_9—C6_9 | 160.5 | O5_10—Fe10_10—O4_10—C6_10 | −159.9 |
O7_3—Fe9_9—O4_9—C6_9 | 74.3 (4) | O3_10—Fe10_10—O4_10—C6_10 | 14.0 |
O3_9—Fe9_9—O4_9—C6_9 | −13.8 | O2_10—Fe10_10—O4_10—C6_10 | 31.3 |
O2_9—Fe9_9—O4_9—C6_9 | −29.2 | O1_10—Fe10_10—O4_10—C6_10 | −161.7 |
O1_9—Fe9_9—O4_9—C6_9 | 160.9 | O6_7—Fe10_10—O4_10—C6_10 | 113.2 (3) |
O6_3—Fe9_9—O4_9—C7_9 | 114.0 (3) | O7_7—Fe10_10—O4_10—C7_10 | 56.7 (3) |
O5_9—Fe9_9—O4_9—C7_9 | 26.2 | O5_10—Fe10_10—O4_10—C7_10 | −29.4 |
O7_3—Fe9_9—O4_9—C7_9 | −60.0 (4) | O3_10—Fe10_10—O4_10—C7_10 | 144.4 |
O3_9—Fe9_9—O4_9—C7_9 | −148.1 | O2_10—Fe10_10—O4_10—C7_10 | 161.7 |
O2_9—Fe9_9—O4_9—C7_9 | −163.4 | O1_10—Fe10_10—O4_10—C7_10 | −31.3 |
O1_9—Fe9_9—O4_9—C7_9 | 26.7 | O6_7—Fe10_10—O4_10—C7_10 | −116.4 (3) |
O6_3—Fe9_9—O5_9—C9_9 | 92.4 (4) | O7_7—Fe10_10—O5_10—C9_10 | 85.1 (3) |
O7_3—Fe9_9—O5_9—C9_9 | −87.2 (4) | O3_10—Fe10_10—O5_10—C9_10 | 168.2 |
O3_9—Fe9_9—O5_9—C9_9 | −168.0 | O2_10—Fe10_10—O5_10—C9_10 | −12.8 |
O2_9—Fe9_9—O5_9—C9_9 | 12.6 | O1_10—Fe10_10—O5_10—C9_10 | −3.1 |
O1_9—Fe9_9—O5_9—C9_9 | 3.2 | O4_10—Fe10_10—O5_10—C9_10 | 178.1 |
O4_9—Fe9_9—O5_9—C9_9 | −177.1 | O6_7—Fe10_10—O5_10—C9_10 | −91.5 (3) |
O6_3—Fe9_9—O5_9—C8_9 | −91.4 (4) | O7_7—Fe10_10—O5_10—C8_10 | −90.0 (3) |
O7_3—Fe9_9—O5_9—C8_9 | 88.9 (4) | O3_10—Fe10_10—O5_10—C8_10 | −6.9 |
O3_9—Fe9_9—O5_9—C8_9 | 8.1 | O2_10—Fe10_10—O5_10—C8_10 | 172.0 |
O2_9—Fe9_9—O5_9—C8_9 | −171.3 | O1_10—Fe10_10—O5_10—C8_10 | −178.2 |
O1_9—Fe9_9—O5_9—C8_9 | 179.3 | O4_10—Fe10_10—O5_10—C8_10 | 2.9 |
O4_9—Fe9_9—O5_9—C8_9 | −0.9 | O6_7—Fe10_10—O5_10—C8_10 | 93.3 (3) |
C10_9—O1_9—C1_9—C2_9 | 174.7 | C10_10—O1_10—C1_10—C2_10 | −173.7 |
Fe9_9—O1_9—C1_9—C2_9 | 46.0 | Fe10_10—O1_10—C1_10—C2_10 | −44.4 |
O1_9—C1_9—C2_9—O2_9 | −53.1 | C3_10—O2_10—C2_10—C1_10 | 176.9 |
C3_9—O2_9—C2_9—C1_9 | −177.9 | Fe10_10—O2_10—C2_10—C1_10 | −42.7 |
Fe9_9—O2_9—C2_9—C1_9 | 40.4 | O1_10—C1_10—C2_10—O2_10 | 53.5 |
C2_9—O2_9—C3_9—C4_9 | 174.7 | C2_10—O2_10—C3_10—C4_10 | −175.7 |
Fe9_9—O2_9—C3_9—C4_9 | −43.0 | Fe10_10—O2_10—C3_10—C4_10 | 42.9 |
C5_9—O3_9—C4_9—C3_9 | −178.8 | C5_10—O3_10—C4_10—C3_10 | 176.5 |
Fe9_9—O3_9—C4_9—C3_9 | −43.2 | Fe10_10—O3_10—C4_10—C3_10 | 42.0 |
O2_9—C3_9—C4_9—O3_9 | 53.9 | O2_10—C3_10—C4_10—O3_10 | −52.8 |
C4_9—O3_9—C5_9—C6_9 | −178.8 | C4_10—O3_10—C5_10—C6_10 | 177.5 |
Fe9_9—O3_9—C5_9—C6_9 | 45.8 | Fe10_10—O3_10—C5_10—C6_10 | −47.5 |
C7_9—O4_9—C6_9—C5_9 | 172.9 | C7_10—O4_10—C6_10—C5_10 | −174.0 |
Fe9_9—O4_9—C6_9—C5_9 | 39.8 | Fe10_10—O4_10—C6_10—C5_10 | −42.5 |
O3_9—C5_9—C6_9—O4_9 | −54.5 | O3_10—C5_10—C6_10—O4_10 | 57.0 |
C6_9—O4_9—C7_9—C8_9 | 178.6 | C6_10—O4_10—C7_10—C8_10 | 179.4 |
Fe9_9—O4_9—C7_9—C8_9 | −47.1 | Fe10_10—O4_10—C7_10—C8_10 | 48.1 |
O4_9—C7_9—C8_9—O5_9 | 43.9 | C9_10—O5_10—C8_10—C7_10 | −154.2 |
C9_9—O5_9—C8_9—C7_9 | 152.2 | Fe10_10—O5_10—C8_10—C7_10 | 21.2 |
Fe9_9—O5_9—C8_9—C7_9 | −24.0 | O4_10—C7_10—C8_10—O5_10 | −42.4 |
C8_9—O5_9—C9_9—C10_9 | 153.9 | C8_10—O5_10—C9_10—C10_10 | −156.3 |
Fe9_9—O5_9—C9_9—C10_9 | −29.8 | Fe10_10—O5_10—C9_10—C10_10 | 28.2 |
C1_9—O1_9—C10_9—C9_9 | −178.9 | C1_10—O1_10—C10_10—C9_10 | 178.1 |
Fe9_9—O1_9—C10_9—C9_9 | −48.4 | Fe10_10—O1_10—C10_10—C9_10 | 47.7 |
O5_9—C9_9—C10_9—O1_9 | 49.4 | O5_10—C9_10—C10_10—O1_10 | −48.1 |
O6_4—Fe4_4—O1_4—C10_4 | −117.0 (3) | O7_8—Fe8_8—O1_8—C10_8 | −61.9 (3) |
O7_4—Fe4_4—O1_4—C10_4 | 62.6 (3) | O6_8—Fe8_8—O1_8—C10_8 | 115.2 (3) |
O5_4—Fe4_4—O1_4—C10_4 | −26.1 (3) | O5_8—Fe8_8—O1_8—C10_8 | 27.3 (3) |
O2_4—Fe4_4—O1_4—C10_4 | 144.8 (4) | O3_8—Fe8_8—O1_8—C10_8 | −164.6 (3) |
O3_4—Fe4_4—O1_4—C10_4 | 165.6 (3) | O2_8—Fe8_8—O1_8—C10_8 | −144.2 (4) |
O4_4—Fe4_4—O1_4—C10_4 | −26.9 (4) | O4_8—Fe8_8—O1_8—C10_8 | 27.4 (4) |
O6_4—Fe4_4—O1_4—C1_4 | 114.6 (3) | O7_8—Fe8_8—O1_8—C1_8 | 65.7 (3) |
O7_4—Fe4_4—O1_4—C1_4 | −65.8 (3) | O6_8—Fe8_8—O1_8—C1_8 | −117.2 (3) |
O5_4—Fe4_4—O1_4—C1_4 | −154.6 (3) | O5_8—Fe8_8—O1_8—C1_8 | 154.9 (4) |
O2_4—Fe4_4—O1_4—C1_4 | 16.4 (3) | O3_8—Fe8_8—O1_8—C1_8 | −37.1 (5) |
O3_4—Fe4_4—O1_4—C1_4 | 37.2 (4) | O2_8—Fe8_8—O1_8—C1_8 | −16.6 (3) |
O4_4—Fe4_4—O1_4—C1_4 | −155.3 (3) | O4_8—Fe8_8—O1_8—C1_8 | 154.9 (3) |
O6_4—Fe4_4—O2_4—C3_4 | 64.1 (3) | O7_8—Fe8_8—O2_8—C2_8 | −108.5 (4) |
O7_4—Fe4_4—O2_4—C3_4 | −116.7 (3) | O6_8—Fe8_8—O2_8—C2_8 | 70.0 (4) |
O5_4—Fe4_4—O2_4—C3_4 | 165.2 (3) | O5_8—Fe8_8—O2_8—C2_8 | −29.8 (5) |
O3_4—Fe4_4—O2_4—C3_4 | −16.8 (3) | O1_8—Fe8_8—O2_8—C2_8 | −16.0 (3) |
O4_4—Fe4_4—O2_4—C3_4 | −38.1 (5) | O3_8—Fe8_8—O2_8—C2_8 | 151.7 (4) |
O1_4—Fe4_4—O2_4—C3_4 | 150.7 (4) | O4_8—Fe8_8—O2_8—C2_8 | 172.8 (3) |
O6_4—Fe4_4—O2_4—C2_4 | −69.1 (4) | O7_8—Fe8_8—O2_8—C3_8 | 117.5 (3) |
O7_4—Fe4_4—O2_4—C2_4 | 110.1 (4) | O6_8—Fe8_8—O2_8—C3_8 | −63.9 (3) |
O5_4—Fe4_4—O2_4—C2_4 | 32.0 (5) | O5_8—Fe8_8—O2_8—C3_8 | −163.7 (3) |
O3_4—Fe4_4—O2_4—C2_4 | −150.0 (4) | O1_8—Fe8_8—O2_8—C3_8 | −149.9 (4) |
O4_4—Fe4_4—O2_4—C2_4 | −171.3 (3) | O3_8—Fe8_8—O2_8—C3_8 | 17.7 (3) |
O1_4—Fe4_4—O2_4—C2_4 | 17.5 (3) | O4_8—Fe8_8—O2_8—C3_8 | 38.9 (5) |
O6_4—Fe4_4—O3_4—C5_4 | 111.8 (4) | O7_8—Fe8_8—O3_8—C5_8 | 64.9 (4) |
O7_4—Fe4_4—O3_4—C5_4 | −68.3 (4) | O6_8—Fe8_8—O3_8—C5_8 | −113.1 (4) |
O5_4—Fe4_4—O3_4—C5_4 | 29.7 (5) | O5_8—Fe8_8—O3_8—C5_8 | −33.5 (5) |
O2_4—Fe4_4—O3_4—C5_4 | −148.3 (4) | O1_8—Fe8_8—O3_8—C5_8 | 165.5 (4) |
O4_4—Fe4_4—O3_4—C5_4 | 18.9 (3) | O2_8—Fe8_8—O3_8—C5_8 | 145.1 (4) |
O1_4—Fe4_4—O3_4—C5_4 | −169.1 (3) | O4_8—Fe8_8—O3_8—C5_8 | −22.2 (4) |
O6_4—Fe4_4—O3_4—C4_4 | −116.6 (3) | O7_8—Fe8_8—O3_8—C4_8 | −64.8 (3) |
O7_4—Fe4_4—O3_4—C4_4 | 63.3 (3) | O6_8—Fe8_8—O3_8—C4_8 | 117.1 (3) |
O5_4—Fe4_4—O3_4—C4_4 | 161.3 (3) | O5_8—Fe8_8—O3_8—C4_8 | −163.3 (3) |
O2_4—Fe4_4—O3_4—C4_4 | −16.7 (3) | O1_8—Fe8_8—O3_8—C4_8 | 35.7 (5) |
O4_4—Fe4_4—O3_4—C4_4 | 150.5 (3) | O2_8—Fe8_8—O3_8—C4_8 | 15.3 (3) |
O1_4—Fe4_4—O3_4—C4_4 | −37.5 (4) | O4_8—Fe8_8—O3_8—C4_8 | −152.0 (3) |
O6_4—Fe4_4—O4_4—C7_4 | 59.6 (3) | O7_8—Fe8_8—O4_8—C6_8 | −109.1 (4) |
O7_4—Fe4_4—O4_4—C7_4 | −119.7 (3) | O6_8—Fe8_8—O4_8—C6_8 | 73.5 (4) |
O5_4—Fe4_4—O4_4—C7_4 | −30.6 (3) | O5_8—Fe8_8—O4_8—C6_8 | 161.3 (4) |
O2_4—Fe4_4—O4_4—C7_4 | 163.9 (3) | O1_8—Fe8_8—O4_8—C6_8 | 161.2 (3) |
O3_4—Fe4_4—O4_4—C7_4 | 142.5 (3) | O3_8—Fe8_8—O4_8—C6_8 | −11.4 (3) |
O1_4—Fe4_4—O4_4—C7_4 | −29.9 (4) | O2_8—Fe8_8—O4_8—C6_8 | −32.6 (5) |
O6_4—Fe4_4—O4_4—C6_4 | −70.5 (4) | O7_8—Fe8_8—O4_8—C7_8 | 120.2 (3) |
O7_4—Fe4_4—O4_4—C6_4 | 110.2 (4) | O6_8—Fe8_8—O4_8—C7_8 | −57.1 (3) |
O5_4—Fe4_4—O4_4—C6_4 | −160.7 (4) | O5_8—Fe8_8—O4_8—C7_8 | 30.7 (3) |
O2_4—Fe4_4—O4_4—C6_4 | 33.8 (5) | O1_8—Fe8_8—O4_8—C7_8 | 30.6 (4) |
O3_4—Fe4_4—O4_4—C6_4 | 12.4 (3) | O3_8—Fe8_8—O4_8—C7_8 | −142.1 (3) |
O1_4—Fe4_4—O4_4—C6_4 | −160.0 (3) | O2_8—Fe8_8—O4_8—C7_8 | −163.2 (3) |
O6_4—Fe4_4—O5_4—C8_4 | −87.8 (4) | O7_8—Fe8_8—O5_8—C9_8 | 94.6 (4) |
O7_4—Fe4_4—O5_4—C8_4 | 92.8 (4) | O6_8—Fe8_8—O5_8—C9_8 | −85.7 (4) |
O2_4—Fe4_4—O5_4—C8_4 | 168.8 (4) | O1_8—Fe8_8—O5_8—C9_8 | 4.1 (4) |
O3_4—Fe4_4—O5_4—C8_4 | −8.0 (5) | O3_8—Fe8_8—O5_8—C9_8 | −164.3 (3) |
O4_4—Fe4_4—O5_4—C8_4 | 2.9 (4) | O2_8—Fe8_8—O5_8—C9_8 | 18.0 (5) |
O1_4—Fe4_4—O5_4—C8_4 | −176.6 (4) | O4_8—Fe8_8—O5_8—C9_8 | −175.9 (4) |
O6_4—Fe4_4—O5_4—C9_4 | 83.7 (4) | O7_8—Fe8_8—O5_8—C8_8 | −93.2 (4) |
O7_4—Fe4_4—O5_4—C9_4 | −95.8 (4) | O6_8—Fe8_8—O5_8—C8_8 | 86.5 (4) |
O2_4—Fe4_4—O5_4—C9_4 | −19.8 (5) | O1_8—Fe8_8—O5_8—C8_8 | 176.2 (4) |
O3_4—Fe4_4—O5_4—C9_4 | 163.5 (3) | O3_8—Fe8_8—O5_8—C8_8 | 7.8 (5) |
O4_4—Fe4_4—O5_4—C9_4 | 174.4 (4) | O2_8—Fe8_8—O5_8—C8_8 | −169.9 (4) |
O1_4—Fe4_4—O5_4—C9_4 | −5.1 (4) | O4_8—Fe8_8—O5_8—C8_8 | −3.7 (4) |
C10_4—O1_4—C1_4—C2_4 | −174.0 (4) | C10_8—O1_8—C1_8—C2_8 | 172.9 (4) |
Fe4_4—O1_4—C1_4—C2_4 | −44.8 (5) | Fe8_8—O1_8—C1_8—C2_8 | 45.0 (5) |
C3_4—O2_4—C2_4—C1_4 | −179.4 (5) | C3_8—O2_8—C2_8—C1_8 | 177.5 (5) |
Fe4_4—O2_4—C2_4—C1_4 | −46.0 (5) | Fe8_8—O2_8—C2_8—C1_8 | 44.2 (6) |
O1_4—C1_4—C2_4—O2_4 | 57.7 (6) | O1_8—C1_8—C2_8—O2_8 | −56.7 (6) |
C2_4—O2_4—C3_4—C4_4 | 178.0 (4) | C2_8—O2_8—C3_8—C4_8 | −179.7 (5) |
Fe4_4—O2_4—C3_4—C4_4 | 44.5 (5) | Fe8_8—O2_8—C3_8—C4_8 | −45.9 (5) |
C5_4—O3_4—C4_4—C3_4 | 175.7 (4) | C5_8—O3_8—C4_8—C3_8 | −172.9 (4) |
Fe4_4—O3_4—C4_4—C3_4 | 45.0 (4) | Fe8_8—O3_8—C4_8—C3_8 | −43.8 (5) |
O2_4—C3_4—C4_4—O3_4 | −57.6 (5) | O2_8—C3_8—C4_8—O3_8 | 57.3 (6) |
C4_4—O3_4—C5_4—C6_4 | −176.7 (4) | C4_8—O3_8—C5_8—C6_8 | −179.5 (4) |
Fe4_4—O3_4—C5_4—C6_4 | −46.4 (5) | Fe8_8—O3_8—C5_8—C6_8 | 50.6 (5) |
C7_4—O4_4—C6_4—C5_4 | −170.5 (4) | C7_8—O4_8—C6_8—C5_8 | 171.2 (4) |
Fe4_4—O4_4—C6_4—C5_4 | −41.1 (5) | Fe8_8—O4_8—C6_8—C5_8 | 41.4 (5) |
O3_4—C5_4—C6_4—O4_4 | 56.5 (6) | O3_8—C5_8—C6_8—O4_8 | −59.6 (5) |
C6_4—O4_4—C7_4—C8_4 | −178.3 (4) | C6_8—O4_8—C7_8—C8_8 | 178.8 (4) |
Fe4_4—O4_4—C7_4—C8_4 | 52.0 (5) | Fe8_8—O4_8—C7_8—C8_8 | −51.3 (5) |
C9_4—O5_4—C8_4—C7_4 | −149.2 (5) | C9_8—O5_8—C8_8—C7_8 | 150.7 (5) |
Fe4_4—O5_4—C8_4—C7_4 | 22.4 (6) | Fe8_8—O5_8—C8_8—C7_8 | −21.5 (6) |
O4_4—C7_4—C8_4—O5_4 | −46.3 (6) | O4_8—C7_8—C8_8—O5_8 | 45.1 (6) |
C8_4—O5_4—C9_4—C10_4 | −156.2 (4) | C8_8—O5_8—C9_8—C10_8 | 156.1 (5) |
Fe4_4—O5_4—C9_4—C10_4 | 32.1 (5) | Fe8_8—O5_8—C9_8—C10_8 | −31.4 (5) |
C1_4—O1_4—C10_4—C9_4 | 179.6 (4) | C1_8—O1_8—C10_8—C9_8 | −179.7 (4) |
Fe4_4—O1_4—C10_4—C9_4 | 50.4 (5) | Fe8_8—O1_8—C10_8—C9_8 | −51.5 (5) |
O5_4—C9_4—C10_4—O1_4 | −50.9 (5) | O5_8—C9_8—C10_8—O1_8 | 51.8 (5) |
D—H···A | D—H | H···A | D···A | D—H···A |
O6_1—H1W_1···O9_11 | 0.82 (1) | 2.15 (2) | 2.941 (6) | 163 (4) |
O6_1—H1W_1···O8_11 | 0.82 (1) | 2.52 (3) | 3.040 (6) | 123 (3) |
O6_1—H2W_1···O9_21i | 0.82 (1) | 1.93 (2) | 2.733 (6) | 168 (5) |
O6_1—H2W_1···O10_21i | 0.82 (1) | 2.69 (3) | 3.344 (6) | 138 (4) |
O7_1—H3W_1···O9_14ii | 0.82 (1) | 1.98 (2) | 2.730 (6) | 151 (3) |
O7_1—H3W_1···O10_14ii | 0.82 (1) | 2.45 (3) | 3.083 (6) | 135 (3) |
O7_1—H4W_1···O8_19 | 0.81 (1) | 1.98 (2) | 2.767 (5) | 164 (4) |
O6_2—H1W_2···O9_13ii | 0.82 (1) | 1.87 (1) | 2.680 (6) | 170 (5) |
O6_2—H1W_2···O10_13ii | 0.82 (1) | 2.70 (3) | 3.340 (6) | 136 (4) |
O6_2—H2W_2···O8_20 | 0.82 (1) | 2.39 (2) | 3.149 (6) | 155 (4) |
O6_2—H2W_2···O9_20 | 0.82 (1) | 2.15 (2) | 2.879 (5) | 148 (4) |
O7_2—H3W_2···O9_20i | 0.82 (1) | 2.00 (1) | 2.810 (6) | 171 (4) |
O7_2—H4W_2···O8_12 | 0.82 (1) | 1.94 (1) | 2.737 (5) | 165 (4) |
O7_2—H4W_2···O9_12 | 0.82 (1) | 2.62 (3) | 3.258 (5) | 136 (4) |
O6_3—H1W_3···O9_19i | 0.82 (1) | 1.99 (2) | 2.744 (6) | 152 (4) |
O6_3—H2W_3···O8_13 | 0.82 (1) | 2.06 (2) | 2.788 (6) | 149 (4) |
O6_3—H2W_3···O9_13 | 0.82 (1) | 2.44 (3) | 3.167 (6) | 149 (4) |
O7_3—H3W_3···O9_12ii | 0.83 (1) | 1.90 (1) | 2.705 (6) | 165 (4) |
O7_3—H3W_3···O10_12ii | 0.83 (1) | 2.63 (3) | 3.251 (6) | 132 (3) |
O7_3—H4W_3···O8_21 | 0.82 (1) | 1.95 (1) | 2.765 (5) | 171 (4) |
O7_3—H4W_3···O9_21 | 0.82 (1) | 2.64 (4) | 3.168 (6) | 124 (4) |
O6_4—H1W_4···O9_26iii | 0.82 (1) | 1.93 (1) | 2.743 (6) | 175 (4) |
O6_4—H1W_4···O10_26iii | 0.82 (1) | 2.74 (3) | 3.337 (6) | 132 (4) |
O6_4—H2W_4···O8_14 | 0.83 (1) | 2.52 (3) | 3.042 (5) | 122 (3) |
O6_4—H2W_4···O9_14 | 0.83 (1) | 2.06 (2) | 2.859 (5) | 164 (4) |
O7_4—H3W_4···O9_11ii | 0.82 (1) | 1.95 (2) | 2.724 (6) | 157 (4) |
O7_4—H3W_4···O10_11ii | 0.82 (1) | 2.52 (3) | 3.160 (6) | 135 (3) |
O7_4—H4W_4···O8_22 | 0.82 (1) | 1.99 (1) | 2.793 (5) | 168 (4) |
O6_5—H1W_5···O8_23 | 0.81 (1) | 2.26 (1) | 3.055 (5) | 165 (4) |
O6_5—H1W_5···O9_23 | 0.81 (1) | 2.30 (3) | 2.940 (5) | 136 (4) |
O6_5—H2W_5···O9_18iv | 0.82 (1) | 1.89 (1) | 2.696 (5) | 171 (5) |
O7_5—H3W_5···O9_25iii | 0.81 (1) | 2.03 (1) | 2.826 (6) | 168 (4) |
O7_5—H3W_5···O10_25iii | 0.81 (1) | 2.65 (3) | 3.139 (6) | 120 (3) |
O7_5—H4W_5···O8_15 | 0.81 (1) | 1.95 (1) | 2.737 (5) | 163 (4) |
O7_5—H4W_5···O9_15 | 0.81 (1) | 2.74 (4) | 3.266 (5) | 124 (4) |
O6_6—H1W_6···O8_16 | 0.82 (1) | 2.07 (2) | 2.816 (5) | 151 (4) |
O6_6—H1W_6···O9_16 | 0.82 (1) | 2.40 (3) | 3.093 (5) | 143 (4) |
O6_6—H2W_6···O9_24iii | 0.82 (1) | 2.02 (2) | 2.739 (6) | 147 (3) |
O7_6—H3W_6···O8_24 | 0.82 (1) | 1.98 (2) | 2.733 (5) | 152 (4) |
O7_6—H4W_6···O9_17iv | 0.82 (1) | 1.89 (2) | 2.676 (6) | 159 (3) |
O7_6—H4W_6···O10_17iv | 0.82 (1) | 2.56 (3) | 3.186 (6) | 134 (4) |
O6_7—H1W_7···O9_16iv | 0.82 (1) | 1.87 (1) | 2.671 (6) | 164 (4) |
O6_7—H1W_7···O10_16iv | 0.82 (1) | 2.63 (3) | 3.304 (6) | 140 (3) |
O6_7—H2W_7···O8_25 | 0.82 (1) | 2.33 (1) | 3.139 (5) | 177 (4) |
O6_7—H2W_7···O9_25 | 0.82 (1) | 2.31 (3) | 2.875 (5) | 127 (3) |
O7_7—H3W_7···O9_23iii | 0.82 (1) | 1.98 (1) | 2.791 (6) | 171 (5) |
O7_7—H3W_7···O10_23iii | 0.82 (1) | 2.69 (4) | 3.200 (5) | 122 (3) |
O7_7—H4W_7···O8_17 | 0.82 (1) | 2.14 (3) | 2.753 (5) | 132 (3) |
O7_7—H4W_7···O9_17 | 0.82 (1) | 2.35 (2) | 3.152 (5) | 166 (3) |
O6_8—H1W_8···O9_15iv | 0.83 (1) | 1.90 (1) | 2.722 (6) | 173 (4) |
O6_8—H2W_8···O8_26 | 0.81 (1) | 2.02 (1) | 2.816 (6) | 165 (4) |
O6_8—H2W_8···O9_26 | 0.81 (1) | 2.48 (3) | 3.111 (6) | 136 (4) |
O7_8—H3W_8···O9_22iii | 0.82 (1) | 1.96 (2) | 2.758 (6) | 163 (4) |
O7_8—H4W_8···O8_18 | 0.82 (1) | 1.96 (2) | 2.749 (5) | 163 (4) |
O7_8—H4W_8···O9_18 | 0.82 (1) | 2.58 (3) | 3.220 (5) | 136 (4) |
Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) −x+1/2, y−1/2, −z+1/2; (iii) −x+1/2, y+1/2, −z+3/2; (iv) −x+1/2, y−1/2, −z+3/2. |
C10H24O7Mg2+·2(NO3−) | F(000) = 6848 |
Mr = 404.62 | Dx = 1.495 Mg m−3 |
Monoclinic, B21 | Cu Kα radiation, λ = 1.54178 Å |
a = 14.597 (2) Å | Cell parameters from 9743 reflections |
b = 14.135 (2) Å | θ = 4.9–65.3° |
c = 70.201 (5) Å | µ = 1.52 mm−1 |
β = 96.95 (2)° | T = 311 K |
V = 14378 (3) Å3 | Block, colorless |
Z = 32 | 0.20 × 0.15 × 0.15 mm |
Bruker-Nonius X8 Proteum diffractometer | 22712 independent reflections |
Radiation source: fine-focus rotating anode | 10777 reflections with I > 2σ(I) |
Graded multi-layer optics monochromator | Rint = 0.030 |
Detector resolution: 18 pixels mm-1 | θmax = 65.5°, θmin = 3.8° |
ω and φ scans | h = −17→14 |
Absorption correction: multi-scan SADABS in APEX2 (Bruker-Nonius, 2004) | k = −16→16 |
Tmin = 0.751, Tmax = 0.804 | l = −78→82 |
53583 measured reflections |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.058 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.181 | w = 1/[σ2(Fo2) + (0.050P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.51 | (Δ/σ)max = 0.002 |
22712 reflections | Δρmax = 0.48 e Å−3 |
892 parameters | Δρmin = −0.35 e Å−3 |
3244 restraints | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.000071 (5) |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
O6_1 | 0.1786 (3) | 0.6727 (3) | 0.08060 (6) | 0.0555 (2) | |
H1W_1 | 0.160 (3) | 0.670 (4) | 0.0692 (2) | 0.083* | |
H2W_1 | 0.157 (3) | 0.719 (3) | 0.0851 (6) | 0.083* | |
O7_1 | 0.3141 (3) | 0.4434 (3) | 0.10216 (6) | 0.0552 (2) | |
H3W_1 | 0.314 (3) | 0.3912 (17) | 0.0973 (6) | 0.083* | |
H4W_1 | 0.327 (3) | 0.439 (4) | 0.11369 (16) | 0.083* | |
Mg1_1 | 0.24549 (12) | 0.55524 (14) | 0.09126 (2) | 0.03647 (11) | |
O1_1 | 0.1280 (2) | 0.5205 (3) | 0.10744 (5) | 0.04702 (19) | |
O2_1 | 0.1584 (2) | 0.4540 (3) | 0.07407 (5) | 0.04969 (19) | |
O3_1 | 0.2977 (2) | 0.5438 (3) | 0.06335 (5) | 0.05094 (19) | |
O4_1 | 0.3800 (2) | 0.6296 (3) | 0.09366 (5) | 0.0557 (2) | |
O5_1 | 0.2689 (2) | 0.6216 (3) | 0.11839 (5) | 0.04900 (19) | |
C1_1 | 0.0784 (4) | 0.4373 (5) | 0.10093 (8) | 0.0643 (3) | |
H11_1 | 0.0181 | 0.4367 | 0.1054 | 0.077* | |
H12_1 | 0.1119 | 0.3813 | 0.1057 | 0.077* | |
C2_1 | 0.0687 (4) | 0.4394 (5) | 0.07947 (8) | 0.0659 (3) | |
H21_1 | 0.0433 | 0.3801 | 0.0743 | 0.079* | |
H22_1 | 0.0277 | 0.4903 | 0.0746 | 0.079* | |
C3_1 | 0.1625 (4) | 0.4562 (5) | 0.05382 (7) | 0.0581 (3) | |
H31_1 | 0.1296 | 0.5107 | 0.0480 | 0.070* | |
H32_1 | 0.1362 | 0.3992 | 0.0477 | 0.070* | |
C4_1 | 0.2638 (4) | 0.4629 (4) | 0.05206 (8) | 0.0571 (3) | |
H41_1 | 0.2954 | 0.4058 | 0.0569 | 0.069* | |
H42_1 | 0.2737 | 0.4714 | 0.0388 | 0.069* | |
C5_1 | 0.3944 (4) | 0.5595 (5) | 0.06362 (8) | 0.0693 (4) | |
H51_1 | 0.4099 | 0.5696 | 0.0507 | 0.083* | |
H52_1 | 0.4293 | 0.5059 | 0.0692 | 0.083* | |
C6_1 | 0.4149 (4) | 0.6463 (5) | 0.07564 (8) | 0.0721 (4) | |
H61_1 | 0.4809 | 0.6577 | 0.0777 | 0.086* | |
H62_1 | 0.3851 | 0.7011 | 0.0693 | 0.086* | |
C7_1 | 0.3844 (4) | 0.7098 (4) | 0.10591 (8) | 0.0657 (3) | |
H71_1 | 0.3473 | 0.7610 | 0.0999 | 0.079* | |
H72_1 | 0.4476 | 0.7316 | 0.1087 | 0.079* | |
C8_1 | 0.3477 (4) | 0.6790 (5) | 0.12396 (8) | 0.0640 (3) | |
H81_1 | 0.3941 | 0.6433 | 0.1320 | 0.077* | |
H82_1 | 0.3306 | 0.7336 | 0.1311 | 0.077* | |
C9_1 | 0.2012 (4) | 0.6170 (4) | 0.13162 (7) | 0.0527 (3) | |
H91_1 | 0.1586 | 0.6698 | 0.1296 | 0.063* | |
H92_1 | 0.2308 | 0.6190 | 0.1447 | 0.063* | |
C10_1 | 0.1516 (4) | 0.5262 (4) | 0.12778 (7) | 0.0549 (3) | |
H101_1 | 0.1908 | 0.4735 | 0.1324 | 0.066* | |
H102_1 | 0.0964 | 0.5247 | 0.1342 | 0.066* | |
O6_2 | 0.3244 (3) | 0.4387 (3) | 0.23146 (6) | 0.0555 (2) | |
H1W_2 | 0.344 (3) | 0.396 (3) | 0.2252 (6) | 0.083* | |
H2W_2 | 0.346 (3) | 0.430 (4) | 0.2426 (2) | 0.083* | |
O7_2 | 0.1856 (3) | 0.6699 (3) | 0.20957 (6) | 0.0552 (2) | |
H3W_2 | 0.170 (3) | 0.718 (2) | 0.2147 (7) | 0.083* | |
H4W_2 | 0.159 (3) | 0.663 (4) | 0.1989 (3) | 0.083* | |
Mg2_2 | 0.25480 (12) | 0.55265 (14) | 0.22073 (2) | 0.03647 (11) | |
O1_2 | 0.3746 (2) | 0.5860 (3) | 0.20476 (5) | 0.04702 (19) | |
O2_2 | 0.3417 (2) | 0.6533 (3) | 0.23781 (5) | 0.04969 (19) | |
O3_2 | 0.2037 (2) | 0.5635 (3) | 0.24877 (5) | 0.05094 (19) | |
O4_2 | 0.1222 (2) | 0.4735 (3) | 0.21853 (5) | 0.0557 (2) | |
O5_2 | 0.2340 (2) | 0.4855 (3) | 0.19355 (5) | 0.04900 (19) | |
C1_2 | 0.4196 (4) | 0.6728 (5) | 0.21107 (8) | 0.0643 (3) | |
H11_2 | 0.3819 | 0.7268 | 0.2066 | 0.077* | |
H12_2 | 0.4788 | 0.6782 | 0.2062 | 0.077* | |
C2_2 | 0.4325 (4) | 0.6685 (5) | 0.23271 (8) | 0.0659 (3) | |
H21_2 | 0.4732 | 0.6169 | 0.2372 | 0.079* | |
H22_2 | 0.4581 | 0.7273 | 0.2381 | 0.079* | |
C3_2 | 0.3346 (4) | 0.6529 (5) | 0.25788 (7) | 0.0581 (3) | |
H31_2 | 0.3586 | 0.7116 | 0.2637 | 0.070* | |
H32_2 | 0.3698 | 0.6008 | 0.2641 | 0.070* | |
C4_2 | 0.2348 (4) | 0.6424 (4) | 0.26021 (8) | 0.0571 (3) | |
H41_2 | 0.2270 | 0.6313 | 0.2735 | 0.069* | |
H42_2 | 0.2008 | 0.6989 | 0.2558 | 0.069* | |
C5_2 | 0.1088 (4) | 0.5408 (5) | 0.24842 (9) | 0.0693 (4) | |
H51_2 | 0.0707 | 0.5922 | 0.2428 | 0.083* | |
H52_2 | 0.0939 | 0.5300 | 0.2613 | 0.083* | |
C6_2 | 0.0917 (4) | 0.4522 (5) | 0.23651 (8) | 0.0721 (4) | |
H61_2 | 0.1261 | 0.3994 | 0.2426 | 0.086* | |
H62_2 | 0.0266 | 0.4363 | 0.2349 | 0.086* | |
C7_2 | 0.1209 (4) | 0.3964 (4) | 0.20557 (8) | 0.0657 (3) | |
H71_2 | 0.0584 | 0.3726 | 0.2026 | 0.079* | |
H72_2 | 0.1595 | 0.3455 | 0.2113 | 0.079* | |
C8_2 | 0.1555 (4) | 0.4293 (5) | 0.18797 (8) | 0.0640 (3) | |
H81_2 | 0.1717 | 0.3758 | 0.1804 | 0.077* | |
H82_2 | 0.1086 | 0.4662 | 0.1803 | 0.077* | |
C9_2 | 0.2999 (4) | 0.4912 (4) | 0.18045 (7) | 0.0527 (3) | |
H91_2 | 0.2698 | 0.4890 | 0.1674 | 0.063* | |
H92_2 | 0.3432 | 0.4390 | 0.1824 | 0.063* | |
C10_2 | 0.3491 (4) | 0.5837 (4) | 0.18427 (7) | 0.0549 (3) | |
H101_2 | 0.4035 | 0.5867 | 0.1776 | 0.066* | |
H102_2 | 0.3089 | 0.6362 | 0.1801 | 0.066* | |
O6_3 | 0.1835 (3) | 0.6741 (3) | 0.33233 (6) | 0.0555 (2) | |
H1W_3 | 0.175 (4) | 0.7246 (19) | 0.3374 (6) | 0.083* | |
H2W_3 | 0.161 (4) | 0.675 (4) | 0.3212 (3) | 0.083* | |
O7_3 | 0.3116 (3) | 0.4376 (3) | 0.35358 (6) | 0.0552 (2) | |
H3W_3 | 0.335 (3) | 0.398 (3) | 0.3474 (6) | 0.083* | |
H4W_3 | 0.334 (3) | 0.431 (4) | 0.3647 (2) | 0.083* | |
Mg3_3 | 0.24663 (17) | 0.5549 (2) | 0.34245 (3) | 0.03647 (11) | 0.7324 (19) |
O1_3 | 0.1273 (3) | 0.5234 (3) | 0.35815 (6) | 0.04702 (19) | 0.7324 (19) |
O2_3 | 0.1591 (3) | 0.4550 (3) | 0.32517 (6) | 0.04969 (19) | 0.7324 (19) |
O3_3 | 0.3006 (3) | 0.5417 (4) | 0.31472 (6) | 0.05094 (19) | 0.7324 (19) |
O4_3 | 0.3840 (3) | 0.6262 (3) | 0.34559 (6) | 0.0557 (2) | 0.7324 (19) |
O5_3 | 0.2709 (3) | 0.6179 (3) | 0.37013 (5) | 0.04900 (19) | 0.7324 (19) |
C1_3 | 0.0774 (5) | 0.4404 (5) | 0.35172 (10) | 0.0643 (3) | 0.7324 (19) |
H11_3 | 0.0170 | 0.4400 | 0.3562 | 0.077* | 0.7324 (19) |
H12_3 | 0.1106 | 0.3841 | 0.3565 | 0.077* | 0.7324 (19) |
C2_3 | 0.0683 (4) | 0.4439 (6) | 0.32979 (9) | 0.0659 (3) | 0.7324 (19) |
H21_3 | 0.0411 | 0.3859 | 0.3243 | 0.079* | 0.7324 (19) |
H22_3 | 0.0300 | 0.4968 | 0.3250 | 0.079* | 0.7324 (19) |
C3_3 | 0.1656 (5) | 0.4543 (6) | 0.30485 (8) | 0.0581 (3) | 0.7324 (19) |
H31_3 | 0.1316 | 0.5069 | 0.2986 | 0.070* | 0.7324 (19) |
H32_3 | 0.1410 | 0.3958 | 0.2991 | 0.070* | 0.7324 (19) |
C4_3 | 0.2660 (5) | 0.4629 (5) | 0.30304 (9) | 0.0571 (3) | 0.7324 (19) |
H41_3 | 0.2981 | 0.4053 | 0.3074 | 0.069* | 0.7324 (19) |
H42_3 | 0.2752 | 0.4737 | 0.2898 | 0.069* | 0.7324 (19) |
C5_3 | 0.3969 (4) | 0.5564 (6) | 0.31550 (10) | 0.0693 (4) | 0.7324 (19) |
H51_3 | 0.4137 | 0.5664 | 0.3027 | 0.083* | 0.7324 (19) |
H52_3 | 0.4304 | 0.5019 | 0.3211 | 0.083* | 0.7324 (19) |
C6_3 | 0.4193 (5) | 0.6422 (6) | 0.32763 (10) | 0.0721 (4) | 0.7324 (19) |
H61_3 | 0.4855 | 0.6518 | 0.3297 | 0.086* | 0.7324 (19) |
H62_3 | 0.3909 | 0.6978 | 0.3214 | 0.086* | 0.7324 (19) |
C7_3 | 0.3883 (5) | 0.7057 (5) | 0.35809 (9) | 0.0657 (3) | 0.7324 (19) |
H71_3 | 0.3528 | 0.7579 | 0.3520 | 0.079* | 0.7324 (19) |
H72_3 | 0.4517 | 0.7261 | 0.3613 | 0.079* | 0.7324 (19) |
C8_3 | 0.3488 (5) | 0.6746 (6) | 0.37574 (9) | 0.0640 (3) | 0.7324 (19) |
H81_3 | 0.3944 | 0.6389 | 0.3840 | 0.077* | 0.7324 (19) |
H82_3 | 0.3312 | 0.7293 | 0.3828 | 0.077* | 0.7324 (19) |
C9_3 | 0.2018 (5) | 0.6192 (5) | 0.38240 (9) | 0.0527 (3) | 0.7324 (19) |
H91_3 | 0.1618 | 0.6736 | 0.3797 | 0.063* | 0.7324 (19) |
H92_3 | 0.2290 | 0.6222 | 0.3957 | 0.063* | 0.7324 (19) |
C10_3 | 0.1484 (5) | 0.5291 (5) | 0.37860 (8) | 0.0549 (3) | 0.7324 (19) |
H101_3 | 0.1850 | 0.4751 | 0.3835 | 0.066* | 0.7324 (19) |
H102_3 | 0.0922 | 0.5306 | 0.3847 | 0.066* | 0.7324 (19) |
Mg9_9 | 0.2504 (3) | 0.5531 (3) | 0.34530 (5) | 0.03647 (11) | 0.2676 (19) |
O1_9 | 0.3716 (3) | 0.5831 (4) | 0.32992 (7) | 0.04702 (19) | 0.2676 (19) |
O2_9 | 0.3402 (4) | 0.6500 (4) | 0.36288 (7) | 0.04969 (19) | 0.2676 (19) |
O3_9 | 0.1976 (4) | 0.5653 (5) | 0.37332 (6) | 0.05094 (19) | 0.2676 (19) |
O4_9 | 0.1141 (3) | 0.4812 (5) | 0.34287 (8) | 0.0557 (2) | 0.2676 (19) |
O5_9 | 0.2272 (4) | 0.4880 (4) | 0.31820 (6) | 0.04900 (19) | 0.2676 (19) |
C1_9 | 0.4214 (4) | 0.6654 (5) | 0.33644 (9) | 0.0643 (3) | 0.2676 (19) |
H1A_9 | 0.3879 | 0.7218 | 0.3318 | 0.077* | 0.2676 (19) |
H1B_9 | 0.4813 | 0.6661 | 0.3318 | 0.077* | 0.2676 (19) |
C2_9 | 0.4322 (4) | 0.6629 (5) | 0.35746 (9) | 0.0659 (3) | 0.2676 (19) |
H2A_9 | 0.4721 | 0.6110 | 0.3622 | 0.079* | 0.2676 (19) |
H2B_9 | 0.4589 | 0.7216 | 0.3627 | 0.079* | 0.2676 (19) |
C3_9 | 0.3330 (5) | 0.6486 (6) | 0.38308 (7) | 0.0581 (3) | 0.2676 (19) |
H3A_9 | 0.3599 | 0.7053 | 0.3892 | 0.070* | 0.2676 (19) |
H3B_9 | 0.3646 | 0.5938 | 0.3891 | 0.070* | 0.2676 (19) |
C4_9 | 0.2325 (5) | 0.6439 (6) | 0.38474 (7) | 0.0571 (3) | 0.2676 (19) |
H4A_9 | 0.2222 | 0.6347 | 0.3980 | 0.069* | 0.2676 (19) |
H4B_9 | 0.2022 | 0.7018 | 0.3801 | 0.069* | 0.2676 (19) |
C5_9 | 0.1030 (4) | 0.5512 (6) | 0.37292 (9) | 0.0693 (4) | 0.2676 (19) |
H5A_9 | 0.0692 | 0.6058 | 0.3674 | 0.083* | 0.2676 (19) |
H5B_9 | 0.0872 | 0.5411 | 0.3858 | 0.083* | 0.2676 (19) |
C6_9 | 0.0797 (4) | 0.4639 (6) | 0.36051 (9) | 0.0721 (4) | 0.2676 (19) |
H6A_9 | 0.1086 | 0.4082 | 0.3667 | 0.086* | 0.2676 (19) |
H6B_9 | 0.0135 | 0.4541 | 0.3585 | 0.086* | 0.2676 (19) |
C7_9 | 0.1097 (4) | 0.4036 (5) | 0.32963 (9) | 0.0657 (3) | 0.2676 (19) |
H7A_9 | 0.0463 | 0.3826 | 0.3266 | 0.079* | 0.2676 (19) |
H7B_9 | 0.1460 | 0.3509 | 0.3353 | 0.079* | 0.2676 (19) |
C8_9 | 0.1455 (5) | 0.4347 (6) | 0.31240 (8) | 0.0640 (3) | 0.2676 (19) |
H8A_9 | 0.1597 | 0.3806 | 0.3048 | 0.077* | 0.2676 (19) |
H8B_9 | 0.1003 | 0.4736 | 0.3048 | 0.077* | 0.2676 (19) |
C9_9 | 0.2956 (5) | 0.4910 (6) | 0.30535 (7) | 0.0527 (3) | 0.2676 (19) |
H9A_9 | 0.2667 | 0.4898 | 0.2922 | 0.063* | 0.2676 (19) |
H9B_9 | 0.3364 | 0.4368 | 0.3074 | 0.063* | 0.2676 (19) |
C10_9 | 0.3488 (5) | 0.5809 (6) | 0.30929 (7) | 0.0549 (3) | 0.2676 (19) |
H10A_9 | 0.4044 | 0.5806 | 0.3030 | 0.066* | 0.2676 (19) |
H10B_9 | 0.3116 | 0.6353 | 0.3049 | 0.066* | 0.2676 (19) |
O6_4 | 0.1772 (3) | 0.6721 (3) | 0.45632 (6) | 0.0555 (2) | |
H1W_4 | 0.163 (4) | 0.722 (2) | 0.4611 (6) | 0.083* | |
H2W_4 | 0.173 (3) | 0.680 (3) | 0.44466 (15) | 0.083* | |
O7_4 | 0.3176 (3) | 0.4454 (3) | 0.47865 (6) | 0.0552 (2) | |
H3W_4 | 0.334 (3) | 0.402 (3) | 0.4723 (6) | 0.083* | |
H4W_4 | 0.350 (3) | 0.446 (4) | 0.4889 (3) | 0.083* | |
Mg4_4 | 0.24647 (12) | 0.55567 (14) | 0.46743 (2) | 0.03647 (11) | |
O1_4 | 0.1293 (2) | 0.5198 (3) | 0.48340 (5) | 0.04702 (19) | |
O2_4 | 0.1615 (2) | 0.4516 (3) | 0.45041 (5) | 0.04969 (19) | |
O3_4 | 0.2977 (2) | 0.5448 (3) | 0.43946 (5) | 0.05094 (19) | |
O4_4 | 0.3793 (2) | 0.6340 (3) | 0.46913 (5) | 0.0557 (2) | |
O5_4 | 0.2686 (2) | 0.6227 (3) | 0.49423 (5) | 0.04900 (19) | |
C1_4 | 0.0823 (4) | 0.4347 (5) | 0.47723 (8) | 0.0643 (3) | |
H11_4 | 0.0220 | 0.4326 | 0.4817 | 0.077* | |
H12_4 | 0.1174 | 0.3799 | 0.4822 | 0.077* | |
C2_4 | 0.0725 (4) | 0.4351 (5) | 0.45574 (8) | 0.0659 (3) | |
H21_4 | 0.0488 | 0.3748 | 0.4507 | 0.079* | |
H22_4 | 0.0303 | 0.4846 | 0.4507 | 0.079* | |
C3_4 | 0.1665 (4) | 0.4529 (5) | 0.43021 (7) | 0.0581 (3) | |
H31_4 | 0.1317 | 0.5057 | 0.4242 | 0.070* | |
H32_4 | 0.1423 | 0.3947 | 0.4243 | 0.070* | |
C4_4 | 0.2673 (4) | 0.4632 (4) | 0.42830 (8) | 0.0571 (3) | |
H41_4 | 0.3010 | 0.4074 | 0.4331 | 0.069* | |
H42_4 | 0.2765 | 0.4722 | 0.4150 | 0.069* | |
C5_4 | 0.3924 (4) | 0.5670 (5) | 0.43898 (8) | 0.0693 (4) | |
H51_4 | 0.4043 | 0.5797 | 0.4259 | 0.083* | |
H52_4 | 0.4311 | 0.5148 | 0.4440 | 0.083* | |
C6_4 | 0.4117 (4) | 0.6528 (5) | 0.45118 (8) | 0.0721 (4) | |
H61_4 | 0.4774 | 0.6659 | 0.4530 | 0.086* | |
H62_4 | 0.3800 | 0.7073 | 0.4451 | 0.086* | |
C7_4 | 0.3814 (4) | 0.7141 (4) | 0.48162 (8) | 0.0657 (3) | |
H71_4 | 0.3422 | 0.7640 | 0.4757 | 0.079* | |
H72_4 | 0.4438 | 0.7383 | 0.4843 | 0.079* | |
C8_4 | 0.3471 (4) | 0.6818 (5) | 0.49983 (8) | 0.0640 (3) | |
H81_4 | 0.3947 | 0.6465 | 0.5076 | 0.077* | |
H82_4 | 0.3297 | 0.7356 | 0.5072 | 0.077* | |
C9_4 | 0.2013 (4) | 0.6184 (4) | 0.50739 (7) | 0.0527 (3) | |
H91_4 | 0.1588 | 0.6713 | 0.5053 | 0.063* | |
H92_4 | 0.2310 | 0.6207 | 0.5205 | 0.063* | |
C10_4 | 0.1510 (4) | 0.5270 (4) | 0.50368 (7) | 0.0549 (3) | |
H101_4 | 0.1895 | 0.4744 | 0.5086 | 0.066* | |
H102_4 | 0.0950 | 0.5266 | 0.5099 | 0.066* | |
O6_5 | 0.3233 (3) | 0.4369 (3) | 0.60665 (6) | 0.0555 (2) | |
H1W_5 | 0.335 (3) | 0.423 (3) | 0.6179 (2) | 0.083* | |
H2W_5 | 0.336 (4) | 0.391 (3) | 0.6005 (6) | 0.083* | |
O7_5 | 0.1892 (3) | 0.6723 (3) | 0.58506 (6) | 0.0552 (2) | |
H3W_5 | 0.171 (3) | 0.713 (3) | 0.5918 (5) | 0.083* | |
H4W_5 | 0.156 (3) | 0.673 (4) | 0.5748 (3) | 0.083* | |
Mg5_5 | 0.25544 (11) | 0.55361 (14) | 0.59620 (2) | 0.03647 (11) | |
O1_5 | 0.3757 (2) | 0.5853 (3) | 0.58024 (5) | 0.04702 (19) | |
O2_5 | 0.3438 (2) | 0.6525 (3) | 0.61334 (5) | 0.04969 (19) | |
O3_5 | 0.2037 (2) | 0.5649 (3) | 0.62415 (5) | 0.05094 (19) | |
O4_5 | 0.1217 (2) | 0.4783 (3) | 0.59350 (5) | 0.0557 (2) | |
O5_5 | 0.2339 (2) | 0.4872 (3) | 0.56888 (5) | 0.04900 (19) | |
C1_5 | 0.4216 (4) | 0.6708 (5) | 0.58682 (8) | 0.0643 (3) | |
H11_5 | 0.3842 | 0.7252 | 0.5825 | 0.077* | |
H12_5 | 0.4805 | 0.6759 | 0.5818 | 0.077* | |
C2_5 | 0.4358 (3) | 0.6668 (5) | 0.60841 (8) | 0.0659 (3) | |
H21_5 | 0.4760 | 0.6148 | 0.6129 | 0.079* | |
H22_5 | 0.4619 | 0.7255 | 0.6138 | 0.079* | |
C3_5 | 0.3361 (4) | 0.6510 (5) | 0.63366 (7) | 0.0581 (3) | |
H31_5 | 0.3615 | 0.7085 | 0.6397 | 0.070* | |
H32_5 | 0.3695 | 0.5974 | 0.6397 | 0.070* | |
C4_5 | 0.2362 (4) | 0.6432 (4) | 0.63572 (7) | 0.0571 (3) | |
H41_5 | 0.2272 | 0.6324 | 0.6490 | 0.069* | |
H42_5 | 0.2038 | 0.7006 | 0.6313 | 0.069* | |
C5_5 | 0.1067 (4) | 0.5478 (5) | 0.62310 (8) | 0.0693 (4) | |
H51_5 | 0.0724 | 0.6008 | 0.6171 | 0.083* | |
H52_5 | 0.0889 | 0.5392 | 0.6359 | 0.083* | |
C6_5 | 0.0873 (4) | 0.4600 (5) | 0.61140 (8) | 0.0721 (4) | |
H61_5 | 0.1186 | 0.4060 | 0.6178 | 0.086* | |
H62_5 | 0.0216 | 0.4472 | 0.6094 | 0.086* | |
C7_5 | 0.1174 (4) | 0.4009 (4) | 0.58064 (8) | 0.0657 (3) | |
H71_5 | 0.0539 | 0.3804 | 0.5775 | 0.079* | |
H72_5 | 0.1531 | 0.3483 | 0.5865 | 0.079* | |
C8_5 | 0.1550 (4) | 0.4314 (5) | 0.56310 (8) | 0.0640 (3) | |
H81_5 | 0.1717 | 0.3768 | 0.5559 | 0.077* | |
H82_5 | 0.1094 | 0.4681 | 0.5550 | 0.077* | |
C9_5 | 0.3010 (4) | 0.4930 (4) | 0.55591 (7) | 0.0527 (3) | |
H91_5 | 0.2717 | 0.4910 | 0.5428 | 0.063* | |
H92_5 | 0.3441 | 0.4407 | 0.5579 | 0.063* | |
C10_5 | 0.3501 (4) | 0.5852 (4) | 0.55990 (7) | 0.0549 (3) | |
H101_5 | 0.4042 | 0.5891 | 0.5532 | 0.066* | |
H102_5 | 0.3096 | 0.6381 | 0.5560 | 0.066* | |
O6_6 | 0.1832 (3) | 0.6735 (3) | 0.70613 (6) | 0.0555 (2) | |
H1W_6 | 0.156 (3) | 0.675 (4) | 0.6953 (3) | 0.083* | |
H2W_6 | 0.157 (3) | 0.713 (3) | 0.7120 (6) | 0.083* | |
O7_6 | 0.3128 (3) | 0.4397 (3) | 0.72756 (6) | 0.0552 (2) | |
H3W_6 | 0.330 (3) | 0.437 (4) | 0.73910 (18) | 0.083* | |
H4W_6 | 0.314 (3) | 0.3853 (14) | 0.7235 (6) | 0.083* | |
Mg6_6 | 0.24686 (12) | 0.55468 (14) | 0.71671 (2) | 0.03647 (11) | |
O1_6 | 0.1276 (2) | 0.5218 (3) | 0.73233 (5) | 0.04702 (19) | |
O2_6 | 0.1594 (2) | 0.4550 (3) | 0.69920 (5) | 0.04969 (19) | |
O3_6 | 0.3006 (2) | 0.5424 (3) | 0.68887 (5) | 0.05094 (19) | |
O4_6 | 0.3839 (2) | 0.6264 (3) | 0.71934 (5) | 0.0557 (2) | |
O5_6 | 0.2701 (2) | 0.6200 (3) | 0.74388 (5) | 0.04900 (19) | |
C1_6 | 0.0771 (4) | 0.4385 (5) | 0.72598 (8) | 0.0643 (3) | |
H11_6 | 0.0164 | 0.4389 | 0.7303 | 0.077* | |
H12_6 | 0.1097 | 0.3821 | 0.7309 | 0.077* | |
C2_6 | 0.0694 (4) | 0.4419 (5) | 0.70447 (8) | 0.0659 (3) | |
H21_6 | 0.0432 | 0.3834 | 0.6991 | 0.079* | |
H22_6 | 0.0297 | 0.4938 | 0.6996 | 0.079* | |
C3_6 | 0.1653 (4) | 0.4557 (5) | 0.67919 (7) | 0.0581 (3) | |
H31_6 | 0.1324 | 0.5095 | 0.6731 | 0.070* | |
H32_6 | 0.1394 | 0.3981 | 0.6732 | 0.070* | |
C4_6 | 0.2661 (4) | 0.4624 (4) | 0.67746 (8) | 0.0571 (3) | |
H41_6 | 0.2975 | 0.4050 | 0.6822 | 0.069* | |
H42_6 | 0.2760 | 0.4715 | 0.6642 | 0.069* | |
C5_6 | 0.3970 (4) | 0.5564 (5) | 0.68931 (8) | 0.0693 (4) | |
H51_6 | 0.4131 | 0.5674 | 0.6765 | 0.083* | |
H52_6 | 0.4308 | 0.5017 | 0.6947 | 0.083* | |
C6_6 | 0.4185 (4) | 0.6417 (5) | 0.70170 (8) | 0.0721 (4) | |
H61_6 | 0.4847 | 0.6517 | 0.7038 | 0.086* | |
H62_6 | 0.3901 | 0.6974 | 0.6954 | 0.086* | |
C7_6 | 0.3879 (4) | 0.7058 (4) | 0.73203 (8) | 0.0657 (3) | |
H71_6 | 0.3517 | 0.7577 | 0.7260 | 0.079* | |
H72_6 | 0.4512 | 0.7269 | 0.7351 | 0.079* | |
C8_6 | 0.3503 (4) | 0.6754 (5) | 0.74962 (8) | 0.0640 (3) | |
H81_6 | 0.3957 | 0.6383 | 0.7576 | 0.077* | |
H82_6 | 0.3344 | 0.7301 | 0.7569 | 0.077* | |
C9_6 | 0.2022 (4) | 0.6181 (4) | 0.75673 (7) | 0.0527 (3) | |
H91_6 | 0.1613 | 0.6722 | 0.7546 | 0.063* | |
H92_6 | 0.2311 | 0.6198 | 0.7699 | 0.063* | |
C10_6 | 0.1498 (4) | 0.5290 (4) | 0.75292 (7) | 0.0549 (3) | |
H101_6 | 0.1868 | 0.4753 | 0.7578 | 0.066* | |
H102_6 | 0.0938 | 0.5302 | 0.7591 | 0.066* | |
O6_7 | 0.3217 (3) | 0.4426 (3) | 0.85535 (6) | 0.0555 (2) | |
H1W_7 | 0.342 (3) | 0.403 (3) | 0.8483 (5) | 0.083* | |
H2W_7 | 0.351 (3) | 0.437 (4) | 0.8660 (3) | 0.083* | |
O7_7 | 0.1801 (3) | 0.6696 (3) | 0.83333 (6) | 0.0552 (2) | |
H3W_7 | 0.166 (4) | 0.7227 (16) | 0.8366 (6) | 0.083* | |
H4W_7 | 0.166 (3) | 0.668 (3) | 0.82171 (17) | 0.083* | |
Mg7_7 | 0.25174 (18) | 0.5539 (2) | 0.84504 (3) | 0.03647 (11) | 0.7375 (19) |
O1_7 | 0.3718 (3) | 0.5870 (3) | 0.82910 (6) | 0.04702 (19) | 0.7375 (19) |
O2_7 | 0.3376 (3) | 0.6559 (3) | 0.86206 (6) | 0.04969 (19) | 0.7375 (19) |
O3_7 | 0.2003 (3) | 0.5640 (3) | 0.87273 (6) | 0.05094 (19) | 0.7375 (19) |
O4_7 | 0.1204 (3) | 0.4723 (3) | 0.84279 (6) | 0.0557 (2) | 0.7375 (19) |
O5_7 | 0.2308 (3) | 0.4870 (3) | 0.81783 (6) | 0.04900 (19) | 0.7375 (19) |
C1_7 | 0.4174 (5) | 0.6730 (5) | 0.83545 (10) | 0.0643 (3) | 0.7375 (19) |
H11_7 | 0.3808 | 0.7273 | 0.8307 | 0.077* | 0.7375 (19) |
H12_7 | 0.4772 | 0.6770 | 0.8308 | 0.077* | 0.7375 (19) |
C2_7 | 0.4284 (4) | 0.6705 (6) | 0.85723 (9) | 0.0659 (3) | 0.7375 (19) |
H21_7 | 0.4690 | 0.6193 | 0.8621 | 0.079* | 0.7375 (19) |
H22_7 | 0.4536 | 0.7298 | 0.8625 | 0.079* | 0.7375 (19) |
C3_7 | 0.3303 (5) | 0.6560 (6) | 0.88219 (8) | 0.0581 (3) | 0.7375 (19) |
H31_7 | 0.3534 | 0.7150 | 0.8880 | 0.070* | 0.7375 (19) |
H32_7 | 0.3654 | 0.6042 | 0.8885 | 0.070* | 0.7375 (19) |
C4_7 | 0.2293 (5) | 0.6447 (5) | 0.88387 (9) | 0.0571 (3) | 0.7375 (19) |
H41_7 | 0.2195 | 0.6354 | 0.8972 | 0.069* | 0.7375 (19) |
H42_7 | 0.1953 | 0.7004 | 0.8790 | 0.069* | 0.7375 (19) |
C5_7 | 0.1079 (5) | 0.5375 (6) | 0.87320 (10) | 0.0693 (4) | 0.7375 (19) |
H51_7 | 0.0669 | 0.5878 | 0.8681 | 0.083* | 0.7375 (19) |
H52_7 | 0.0965 | 0.5250 | 0.8863 | 0.083* | 0.7375 (19) |
C6_7 | 0.0912 (5) | 0.4494 (6) | 0.86116 (9) | 0.0721 (4) | 0.7375 (19) |
H61_7 | 0.1268 | 0.3968 | 0.8670 | 0.086* | 0.7375 (19) |
H62_7 | 0.0264 | 0.4325 | 0.8597 | 0.086* | 0.7375 (19) |
C7_7 | 0.1204 (5) | 0.3938 (5) | 0.83020 (9) | 0.0657 (3) | 0.7375 (19) |
H71_7 | 0.0584 | 0.3687 | 0.8273 | 0.079* | 0.7375 (19) |
H72_7 | 0.1601 | 0.3442 | 0.8361 | 0.079* | 0.7375 (19) |
C8_7 | 0.1549 (5) | 0.4279 (6) | 0.81225 (9) | 0.0640 (3) | 0.7375 (19) |
H81_7 | 0.1735 | 0.3748 | 0.8049 | 0.077* | 0.7375 (19) |
H82_7 | 0.1070 | 0.4627 | 0.8044 | 0.077* | 0.7375 (19) |
C9_7 | 0.2998 (5) | 0.4906 (5) | 0.80513 (9) | 0.0527 (3) | 0.7375 (19) |
H91_7 | 0.2716 | 0.4867 | 0.7919 | 0.063* | 0.7375 (19) |
H92_7 | 0.3426 | 0.4384 | 0.8076 | 0.063* | 0.7375 (19) |
C10_7 | 0.3491 (5) | 0.5830 (5) | 0.80864 (8) | 0.0549 (3) | 0.7375 (19) |
H101_7 | 0.4045 | 0.5846 | 0.8023 | 0.066* | 0.7375 (19) |
H102_7 | 0.3096 | 0.6354 | 0.8041 | 0.066* | 0.7375 (19) |
Mg10_10 | 0.2466 (3) | 0.5546 (3) | 0.84262 (5) | 0.03647 (11) | 0.262 (2) |
O1_10 | 0.1298 (3) | 0.5179 (5) | 0.85911 (7) | 0.0470 (2) | 0.2625 (19) |
O2_10 | 0.1623 (4) | 0.4507 (4) | 0.82585 (7) | 0.04969 (19) | 0.2625 (19) |
O3_10 | 0.2971 (4) | 0.5449 (5) | 0.81460 (6) | 0.05094 (19) | 0.2625 (19) |
O4_10 | 0.3787 (3) | 0.6343 (5) | 0.84468 (8) | 0.0557 (2) | 0.2625 (19) |
O5_10 | 0.2678 (4) | 0.6224 (4) | 0.86974 (6) | 0.04900 (19) | 0.2625 (19) |
C1_10 | 0.0838 (4) | 0.4300 (5) | 0.85265 (9) | 0.0643 (3) | 0.2625 (19) |
H1A_10 | 0.0239 | 0.4255 | 0.8572 | 0.077* | 0.2625 (19) |
H1B_10 | 0.1207 | 0.3758 | 0.8574 | 0.077* | 0.2625 (19) |
C2_10 | 0.0732 (4) | 0.4330 (6) | 0.83080 (9) | 0.0659 (3) | 0.2625 (19) |
H2A_10 | 0.0497 | 0.3732 | 0.8255 | 0.079* | 0.2625 (19) |
H2B_10 | 0.0310 | 0.4830 | 0.8260 | 0.079* | 0.2625 (19) |
C3_10 | 0.1660 (5) | 0.4510 (6) | 0.80581 (7) | 0.0581 (3) | 0.2625 (19) |
H3A_10 | 0.1296 | 0.5028 | 0.7998 | 0.070* | 0.2625 (19) |
H3B_10 | 0.1424 | 0.3920 | 0.8001 | 0.070* | 0.2625 (19) |
C4_10 | 0.2663 (5) | 0.4632 (6) | 0.80330 (7) | 0.0571 (3) | 0.2625 (19) |
H4A_10 | 0.3014 | 0.4076 | 0.8078 | 0.069* | 0.2625 (19) |
H4B_10 | 0.2735 | 0.4733 | 0.7899 | 0.069* | 0.2625 (19) |
C5_10 | 0.3948 (4) | 0.5655 (6) | 0.81503 (9) | 0.0693 (4) | 0.2625 (19) |
H5A_10 | 0.4107 | 0.5751 | 0.8021 | 0.083* | 0.2625 (19) |
H5B_10 | 0.4319 | 0.5141 | 0.8210 | 0.083* | 0.2625 (19) |
C6_10 | 0.4098 (4) | 0.6532 (6) | 0.82652 (9) | 0.0721 (4) | 0.2625 (19) |
H6A_10 | 0.4747 | 0.6699 | 0.8282 | 0.086* | 0.2625 (19) |
H6B_10 | 0.3752 | 0.7052 | 0.8201 | 0.086* | 0.2625 (19) |
C7_10 | 0.3799 (5) | 0.7147 (5) | 0.85662 (10) | 0.0657 (3) | 0.2625 (19) |
H7A_10 | 0.3406 | 0.7640 | 0.8505 | 0.079* | 0.2625 (19) |
H7B_10 | 0.4421 | 0.7393 | 0.8594 | 0.079* | 0.2625 (19) |
C8_10 | 0.3440 (5) | 0.6823 (6) | 0.87510 (8) | 0.0640 (3) | 0.2625 (19) |
H8A_10 | 0.3918 | 0.6485 | 0.8832 | 0.077* | 0.2625 (19) |
H8B_10 | 0.3252 | 0.7364 | 0.8822 | 0.077* | 0.2625 (19) |
C9_10 | 0.2031 (5) | 0.6163 (6) | 0.88306 (7) | 0.0527 (3) | 0.2625 (19) |
H9A_10 | 0.1596 | 0.6684 | 0.8813 | 0.063* | 0.2625 (19) |
H9B_10 | 0.2341 | 0.6182 | 0.8961 | 0.063* | 0.2625 (19) |
C10_10 | 0.1546 (5) | 0.5243 (6) | 0.87924 (7) | 0.0549 (3) | 0.2625 (19) |
H10A_10 | 0.1950 | 0.4723 | 0.8837 | 0.066* | 0.2625 (19) |
H10B_10 | 0.1000 | 0.5217 | 0.8858 | 0.066* | 0.2625 (19) |
O6_8 | 0.3155 (3) | 0.4365 (3) | 0.98052 (6) | 0.0555 (2) | |
H1W_8 | 0.336 (3) | 0.398 (3) | 0.9734 (5) | 0.083* | |
H2W_8 | 0.333 (3) | 0.419 (3) | 0.9914 (3) | 0.083* | |
O7_8 | 0.1870 (3) | 0.6733 (3) | 0.95896 (6) | 0.0552 (2) | |
H3W_8 | 0.176 (3) | 0.720 (2) | 0.9653 (6) | 0.083* | |
H4W_8 | 0.149 (2) | 0.674 (4) | 0.9495 (4) | 0.083* | |
Mg8_8 | 0.25117 (12) | 0.55447 (14) | 0.97021 (2) | 0.03647 (11) | |
O1_8 | 0.3736 (2) | 0.5833 (3) | 0.95486 (5) | 0.04702 (19) | |
O2_8 | 0.3406 (2) | 0.6515 (3) | 0.98772 (5) | 0.04969 (19) | |
O3_8 | 0.1997 (2) | 0.5659 (3) | 0.99819 (5) | 0.05094 (19) | |
O4_8 | 0.1170 (2) | 0.4818 (3) | 0.96734 (5) | 0.0557 (2) | |
O5_8 | 0.2298 (2) | 0.4886 (3) | 0.94293 (5) | 0.04900 (19) | |
C1_8 | 0.4220 (4) | 0.6681 (5) | 0.96157 (8) | 0.0643 (3) | |
H11_8 | 0.3874 | 0.7237 | 0.9569 | 0.077* | |
H12_8 | 0.4822 | 0.6703 | 0.9570 | 0.077* | |
C2_8 | 0.4321 (4) | 0.6649 (5) | 0.98303 (8) | 0.0659 (3) | |
H21_8 | 0.4717 | 0.6130 | 0.9878 | 0.079* | |
H22_8 | 0.4579 | 0.7236 | 0.9884 | 0.079* | |
C3_8 | 0.3326 (4) | 0.6509 (5) | 1.00789 (7) | 0.0581 (3) | |
H31_8 | 0.3585 | 0.7083 | 1.0139 | 0.070* | |
H32_8 | 0.3650 | 0.5970 | 1.0140 | 0.070* | |
C4_8 | 0.2324 (4) | 0.6448 (4) | 1.00961 (8) | 0.0571 (3) | |
H41_8 | 0.2222 | 0.6353 | 1.0229 | 0.069* | |
H42_8 | 0.2010 | 0.7022 | 1.0049 | 0.069* | |
C5_8 | 0.1020 (4) | 0.5504 (5) | 0.99721 (8) | 0.0693 (4) | |
H51_8 | 0.0682 | 0.6039 | 0.9913 | 0.083* | |
H52_8 | 0.0842 | 0.5412 | 1.0099 | 0.083* | |
C6_8 | 0.0830 (4) | 0.4627 (5) | 0.98525 (8) | 0.0721 (4) | |
H61_8 | 0.1145 | 0.4086 | 0.9915 | 0.086* | |
H62_8 | 0.0173 | 0.4496 | 0.9833 | 0.086* | |
C7_8 | 0.1121 (4) | 0.4033 (4) | 0.95474 (8) | 0.0657 (3) | |
H71_8 | 0.0486 | 0.3826 | 0.9518 | 0.079* | |
H72_8 | 0.1482 | 0.3511 | 0.9606 | 0.079* | |
C8_8 | 0.1496 (4) | 0.4340 (5) | 0.93687 (8) | 0.0640 (3) | |
H81_8 | 0.1653 | 0.3795 | 0.9295 | 0.077* | |
H82_8 | 0.1045 | 0.4718 | 0.9289 | 0.077* | |
C9_8 | 0.2977 (4) | 0.4928 (4) | 0.93002 (7) | 0.0527 (3) | |
H91_8 | 0.2686 | 0.4932 | 0.9168 | 0.063* | |
H92_8 | 0.3385 | 0.4385 | 0.9318 | 0.063* | |
C10_8 | 0.3513 (4) | 0.5828 (4) | 0.93440 (7) | 0.0549 (3) | |
H101_8 | 0.4070 | 0.5831 | 0.9281 | 0.066* | |
H102_8 | 0.3143 | 0.6375 | 0.9301 | 0.066* | |
N1_11 | 0.0803 (3) | 0.7406 (4) | 0.03596 (7) | 0.0488 (2) | |
O8_11 | 0.0533 (4) | 0.6717 (4) | 0.04364 (8) | 0.1043 (4) | |
O9_11 | 0.1523 (3) | 0.7776 (4) | 0.04326 (7) | 0.0843 (3) | |
O10_11 | 0.0419 (3) | 0.7689 (4) | 0.02042 (6) | 0.0830 (3) | |
N2_12 | 0.1007 (3) | 0.7332 (3) | 0.16416 (7) | 0.0471 (2) | |
O8_12 | 0.0873 (3) | 0.6620 (3) | 0.17339 (6) | 0.0823 (3) | |
O9_12 | 0.1753 (3) | 0.7749 (4) | 0.16802 (6) | 0.0813 (3) | |
O10_12 | 0.0455 (3) | 0.7631 (4) | 0.15089 (7) | 0.0884 (3) | |
N3_13 | 0.0844 (3) | 0.7386 (3) | 0.28779 (7) | 0.0488 (2) | |
O8_13 | 0.0674 (4) | 0.6679 (4) | 0.29655 (7) | 0.1043 (4) | |
O9_13 | 0.1525 (3) | 0.7844 (4) | 0.29421 (6) | 0.0843 (3) | |
O10_13 | 0.0425 (3) | 0.7610 (4) | 0.27212 (6) | 0.0830 (3) | |
N4_14 | 0.0842 (3) | 0.7395 (3) | 0.41177 (7) | 0.0488 (2) | |
O8_14 | 0.0598 (4) | 0.6690 (4) | 0.41969 (8) | 0.1043 (4) | |
O9_14 | 0.1590 (3) | 0.7729 (4) | 0.41855 (7) | 0.0843 (3) | |
O10_14 | 0.0443 (3) | 0.7733 (4) | 0.39705 (6) | 0.0830 (3) | |
N5_15 | 0.0984 (3) | 0.7346 (3) | 0.53996 (7) | 0.0471 (2) | |
O8_15 | 0.0897 (3) | 0.6619 (3) | 0.54907 (6) | 0.0823 (3) | |
O9_15 | 0.1685 (3) | 0.7824 (4) | 0.54412 (6) | 0.0813 (3) | |
O10_15 | 0.0430 (3) | 0.7599 (4) | 0.52640 (6) | 0.0884 (3) | |
N6_16 | 0.0810 (3) | 0.7403 (3) | 0.66161 (7) | 0.0488 (2) | |
O8_16 | 0.0598 (4) | 0.6708 (4) | 0.67007 (7) | 0.1043 (4) | |
O9_16 | 0.1488 (3) | 0.7833 (4) | 0.66888 (6) | 0.0843 (3) | |
O10_16 | 0.0419 (3) | 0.7638 (4) | 0.64584 (6) | 0.0830 (3) | |
N7_17 | 0.0949 (3) | 0.7347 (3) | 0.78810 (6) | 0.0471 (2) | |
O8_17 | 0.0786 (3) | 0.6633 (3) | 0.79708 (6) | 0.0823 (3) | |
O9_17 | 0.1706 (3) | 0.7732 (4) | 0.79299 (7) | 0.0813 (3) | |
O10_17 | 0.0448 (3) | 0.7661 (4) | 0.77465 (6) | 0.0884 (3) | |
N8_18 | 0.0914 (3) | 0.7367 (3) | 0.91403 (7) | 0.0471 (2) | |
O8_18 | 0.0842 (3) | 0.6649 (3) | 0.92365 (6) | 0.0823 (3) | |
O9_18 | 0.1596 (3) | 0.7865 (4) | 0.91863 (6) | 0.0813 (3) | |
O10_18 | 0.0402 (3) | 0.7564 (4) | 0.89925 (7) | 0.0884 (3) | |
N9_19 | 0.4020 (3) | 0.3774 (3) | 0.14789 (7) | 0.0471 (2) | |
O8_19 | 0.4096 (3) | 0.4503 (3) | 0.13874 (6) | 0.0823 (3) | |
O9_19 | 0.3308 (3) | 0.3296 (4) | 0.14378 (6) | 0.0813 (3) | |
O10_19 | 0.4576 (3) | 0.3522 (4) | 0.16105 (7) | 0.0884 (3) | |
N10_20 | 0.4183 (3) | 0.3690 (4) | 0.27681 (7) | 0.0488 (2) | |
O8_20 | 0.4459 (4) | 0.4377 (4) | 0.26880 (8) | 0.1043 (4) | |
O9_20 | 0.3471 (3) | 0.3296 (4) | 0.26954 (7) | 0.0843 (3) | |
O10_20 | 0.4590 (3) | 0.3377 (4) | 0.29171 (6) | 0.0830 (3) | |
N11_21 | 0.4103 (3) | 0.3732 (3) | 0.39929 (6) | 0.0471 (2) | |
O8_21 | 0.4196 (3) | 0.4428 (3) | 0.38943 (6) | 0.0823 (3) | |
O9_21 | 0.3470 (3) | 0.3172 (3) | 0.39461 (6) | 0.0813 (3) | |
O10_21 | 0.4618 (3) | 0.3578 (4) | 0.41378 (6) | 0.0884 (3) | |
N12_22 | 0.4024 (3) | 0.3774 (3) | 0.52392 (6) | 0.0471 (2) | |
O8_22 | 0.4169 (3) | 0.4504 (3) | 0.51524 (6) | 0.0823 (3) | |
O9_22 | 0.3269 (3) | 0.3362 (4) | 0.51963 (7) | 0.0813 (3) | |
O10_22 | 0.4563 (3) | 0.3463 (4) | 0.53712 (7) | 0.0884 (3) | |
N13_23 | 0.4223 (3) | 0.3693 (3) | 0.65177 (7) | 0.0488 (2) | |
O8_23 | 0.4467 (4) | 0.4378 (4) | 0.64318 (7) | 0.1043 (4) | |
O9_23 | 0.3534 (3) | 0.3249 (4) | 0.64490 (6) | 0.0843 (3) | |
O10_23 | 0.4616 (3) | 0.3418 (4) | 0.66708 (6) | 0.0830 (3) | |
N14_24 | 0.4042 (3) | 0.3751 (3) | 0.77319 (7) | 0.0471 (2) | |
O8_24 | 0.4107 (3) | 0.4474 (3) | 0.76371 (6) | 0.0823 (3) | |
O9_24 | 0.3381 (3) | 0.3222 (4) | 0.76909 (7) | 0.0813 (3) | |
O10_24 | 0.4609 (3) | 0.3565 (4) | 0.78680 (6) | 0.0884 (3) | |
N15_25 | 0.4106 (3) | 0.3723 (4) | 0.90040 (6) | 0.0488 (2) | |
O8_25 | 0.4380 (4) | 0.4429 (4) | 0.89306 (7) | 0.1043 (4) | |
O9_25 | 0.3354 (3) | 0.3373 (4) | 0.89407 (7) | 0.0843 (3) | |
O10_25 | 0.4559 (3) | 0.3371 (4) | 0.91444 (6) | 0.0830 (3) | |
N16_26 | 0.4185 (3) | 0.3713 (4) | 1.02549 (7) | 0.0488 (2) | |
O8_26 | 0.4357 (4) | 0.4397 (4) | 1.01606 (7) | 0.1043 (4) | |
O9_26 | 0.3564 (3) | 0.3168 (4) | 1.01944 (6) | 0.0843 (3) | |
O10_26 | 0.4635 (3) | 0.3519 (4) | 1.04085 (6) | 0.0830 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
O6_1 | 0.0707 (5) | 0.0492 (4) | 0.0457 (4) | 0.0196 (3) | 0.0034 (3) | −0.0007 (3) |
O7_1 | 0.0641 (5) | 0.0490 (4) | 0.0507 (4) | 0.0184 (3) | 0.0002 (3) | −0.0012 (3) |
Mg1_1 | 0.0355 (2) | 0.03682 (17) | 0.03752 (17) | 0.00179 (11) | 0.00617 (13) | −0.00205 (11) |
O1_1 | 0.0443 (4) | 0.0514 (4) | 0.0463 (4) | −0.0048 (3) | 0.0097 (3) | −0.0010 (3) |
O2_1 | 0.0481 (4) | 0.0534 (4) | 0.0474 (4) | −0.0033 (3) | 0.0047 (3) | −0.0072 (3) |
O3_1 | 0.0524 (5) | 0.0533 (4) | 0.0493 (4) | 0.0002 (3) | 0.0148 (3) | −0.0081 (3) |
O4_1 | 0.0518 (5) | 0.0609 (4) | 0.0567 (4) | −0.0128 (3) | 0.0154 (3) | −0.0060 (3) |
O5_1 | 0.0491 (4) | 0.0547 (4) | 0.0441 (3) | −0.0074 (3) | 0.0096 (3) | −0.0112 (3) |
C1_1 | 0.0549 (7) | 0.0622 (7) | 0.0789 (8) | −0.0195 (5) | 0.0210 (6) | −0.0083 (5) |
C2_1 | 0.0478 (7) | 0.0717 (7) | 0.0774 (8) | −0.0165 (6) | 0.0045 (6) | −0.0197 (6) |
C3_1 | 0.0702 (8) | 0.0553 (6) | 0.0468 (6) | −0.0023 (5) | −0.0010 (5) | −0.0141 (4) |
C4_1 | 0.0765 (8) | 0.0530 (6) | 0.0431 (5) | 0.0093 (5) | 0.0125 (5) | −0.0084 (4) |
C5_1 | 0.0612 (8) | 0.0883 (9) | 0.0637 (7) | −0.0067 (7) | 0.0291 (6) | −0.0083 (6) |
C6_1 | 0.0643 (8) | 0.0865 (9) | 0.0701 (8) | −0.0249 (7) | 0.0277 (6) | −0.0031 (6) |
C7_1 | 0.0698 (8) | 0.0575 (6) | 0.0704 (7) | −0.0239 (6) | 0.0110 (6) | −0.0112 (5) |
C8_1 | 0.0661 (8) | 0.0643 (6) | 0.0596 (7) | −0.0186 (6) | −0.0011 (6) | −0.0173 (5) |
C9_1 | 0.0601 (7) | 0.0622 (6) | 0.0372 (5) | 0.0067 (5) | 0.0115 (5) | −0.0046 (4) |
C10_1 | 0.0559 (7) | 0.0670 (6) | 0.0439 (5) | −0.0018 (5) | 0.0144 (5) | 0.0055 (5) |
O6_2 | 0.0707 (5) | 0.0492 (4) | 0.0457 (4) | 0.0196 (3) | 0.0034 (3) | −0.0007 (3) |
O7_2 | 0.0641 (5) | 0.0490 (4) | 0.0507 (4) | 0.0184 (3) | 0.0002 (3) | −0.0012 (3) |
Mg2_2 | 0.0355 (2) | 0.03682 (17) | 0.03752 (17) | 0.00179 (11) | 0.00617 (13) | −0.00205 (11) |
O1_2 | 0.0443 (4) | 0.0514 (4) | 0.0463 (4) | −0.0048 (3) | 0.0097 (3) | −0.0010 (3) |
O2_2 | 0.0481 (4) | 0.0534 (4) | 0.0474 (4) | −0.0033 (3) | 0.0047 (3) | −0.0072 (3) |
O3_2 | 0.0524 (5) | 0.0533 (4) | 0.0493 (4) | 0.0002 (3) | 0.0148 (3) | −0.0081 (3) |
O4_2 | 0.0518 (5) | 0.0609 (4) | 0.0567 (4) | −0.0128 (3) | 0.0154 (3) | −0.0060 (3) |
O5_2 | 0.0491 (4) | 0.0547 (4) | 0.0441 (3) | −0.0074 (3) | 0.0096 (3) | −0.0112 (3) |
C1_2 | 0.0549 (7) | 0.0622 (7) | 0.0789 (8) | −0.0195 (5) | 0.0210 (6) | −0.0083 (5) |
C2_2 | 0.0478 (7) | 0.0717 (7) | 0.0774 (8) | −0.0165 (6) | 0.0045 (6) | −0.0197 (6) |
C3_2 | 0.0702 (8) | 0.0553 (6) | 0.0468 (6) | −0.0023 (5) | −0.0010 (5) | −0.0141 (4) |
C4_2 | 0.0765 (8) | 0.0530 (6) | 0.0431 (5) | 0.0093 (5) | 0.0125 (5) | −0.0084 (4) |
C5_2 | 0.0612 (8) | 0.0883 (9) | 0.0637 (7) | −0.0067 (7) | 0.0291 (6) | −0.0083 (6) |
C6_2 | 0.0643 (8) | 0.0865 (9) | 0.0701 (8) | −0.0249 (7) | 0.0277 (6) | −0.0031 (6) |
C7_2 | 0.0698 (8) | 0.0575 (6) | 0.0704 (7) | −0.0239 (6) | 0.0110 (6) | −0.0112 (5) |
C8_2 | 0.0661 (8) | 0.0643 (6) | 0.0596 (7) | −0.0186 (6) | −0.0011 (6) | −0.0173 (5) |
C9_2 | 0.0601 (7) | 0.0622 (6) | 0.0372 (5) | 0.0067 (5) | 0.0115 (5) | −0.0046 (4) |
C10_2 | 0.0559 (7) | 0.0670 (6) | 0.0439 (5) | −0.0018 (5) | 0.0144 (5) | 0.0055 (5) |
O6_3 | 0.0707 (5) | 0.0492 (4) | 0.0457 (4) | 0.0196 (3) | 0.0034 (3) | −0.0007 (3) |
O7_3 | 0.0641 (5) | 0.0490 (4) | 0.0507 (4) | 0.0184 (3) | 0.0002 (3) | −0.0012 (3) |
Mg3_3 | 0.0355 (2) | 0.03682 (17) | 0.03752 (17) | 0.00179 (11) | 0.00617 (13) | −0.00205 (11) |
O1_3 | 0.0443 (4) | 0.0514 (4) | 0.0463 (4) | −0.0048 (3) | 0.0097 (3) | −0.0010 (3) |
O2_3 | 0.0481 (4) | 0.0534 (4) | 0.0474 (4) | −0.0033 (3) | 0.0047 (3) | −0.0072 (3) |
O3_3 | 0.0524 (5) | 0.0533 (4) | 0.0493 (4) | 0.0002 (3) | 0.0148 (3) | −0.0081 (3) |
O4_3 | 0.0518 (5) | 0.0609 (4) | 0.0567 (4) | −0.0128 (3) | 0.0154 (3) | −0.0060 (3) |
O5_3 | 0.0491 (4) | 0.0547 (4) | 0.0441 (3) | −0.0074 (3) | 0.0096 (3) | −0.0112 (3) |
C1_3 | 0.0549 (7) | 0.0622 (7) | 0.0789 (8) | −0.0195 (5) | 0.0210 (6) | −0.0083 (5) |
C2_3 | 0.0478 (7) | 0.0717 (7) | 0.0774 (8) | −0.0165 (6) | 0.0045 (6) | −0.0197 (6) |
C3_3 | 0.0702 (8) | 0.0553 (6) | 0.0468 (6) | −0.0023 (5) | −0.0010 (5) | −0.0141 (4) |
C4_3 | 0.0765 (8) | 0.0530 (6) | 0.0431 (5) | 0.0093 (5) | 0.0125 (5) | −0.0084 (4) |
C5_3 | 0.0612 (8) | 0.0883 (9) | 0.0637 (7) | −0.0067 (7) | 0.0291 (6) | −0.0083 (6) |
C6_3 | 0.0643 (8) | 0.0865 (9) | 0.0701 (8) | −0.0249 (7) | 0.0277 (6) | −0.0031 (6) |
C7_3 | 0.0698 (8) | 0.0575 (6) | 0.0704 (7) | −0.0239 (6) | 0.0110 (6) | −0.0112 (5) |
C8_3 | 0.0661 (8) | 0.0643 (6) | 0.0596 (7) | −0.0186 (6) | −0.0011 (6) | −0.0173 (5) |
C9_3 | 0.0601 (7) | 0.0622 (6) | 0.0372 (5) | 0.0067 (5) | 0.0115 (5) | −0.0046 (4) |
C10_3 | 0.0559 (7) | 0.0670 (6) | 0.0439 (5) | −0.0018 (5) | 0.0144 (5) | 0.0055 (5) |
Mg9_9 | 0.0355 (2) | 0.03682 (17) | 0.03752 (17) | 0.00179 (11) | 0.00617 (13) | −0.00205 (11) |
O1_9 | 0.0443 (4) | 0.0514 (4) | 0.0463 (4) | −0.0048 (3) | 0.0097 (3) | −0.0010 (3) |
O2_9 | 0.0481 (4) | 0.0534 (4) | 0.0474 (4) | −0.0033 (3) | 0.0047 (3) | −0.0072 (3) |
O3_9 | 0.0524 (5) | 0.0533 (4) | 0.0493 (4) | 0.0002 (3) | 0.0148 (3) | −0.0081 (3) |
O4_9 | 0.0518 (5) | 0.0609 (4) | 0.0567 (4) | −0.0128 (3) | 0.0154 (3) | −0.0060 (3) |
O5_9 | 0.0491 (4) | 0.0547 (4) | 0.0441 (3) | −0.0074 (3) | 0.0096 (3) | −0.0112 (3) |
C1_9 | 0.0549 (7) | 0.0622 (7) | 0.0789 (8) | −0.0195 (5) | 0.0210 (6) | −0.0083 (5) |
C2_9 | 0.0478 (7) | 0.0717 (7) | 0.0774 (8) | −0.0165 (6) | 0.0045 (6) | −0.0197 (6) |
C3_9 | 0.0702 (8) | 0.0553 (6) | 0.0468 (6) | −0.0023 (5) | −0.0010 (5) | −0.0141 (4) |
C4_9 | 0.0765 (8) | 0.0530 (6) | 0.0431 (5) | 0.0093 (5) | 0.0125 (5) | −0.0084 (4) |
C5_9 | 0.0612 (8) | 0.0883 (9) | 0.0637 (7) | −0.0067 (7) | 0.0291 (6) | −0.0083 (6) |
C6_9 | 0.0643 (8) | 0.0865 (9) | 0.0701 (8) | −0.0249 (7) | 0.0277 (6) | −0.0031 (6) |
C7_9 | 0.0698 (8) | 0.0575 (6) | 0.0704 (7) | −0.0239 (6) | 0.0110 (6) | −0.0112 (5) |
C8_9 | 0.0661 (8) | 0.0643 (6) | 0.0596 (7) | −0.0186 (6) | −0.0011 (6) | −0.0173 (5) |
C9_9 | 0.0601 (7) | 0.0622 (6) | 0.0372 (5) | 0.0067 (5) | 0.0115 (5) | −0.0046 (4) |
C10_9 | 0.0559 (7) | 0.0670 (6) | 0.0439 (5) | −0.0018 (5) | 0.0144 (5) | 0.0055 (5) |
O6_4 | 0.0707 (5) | 0.0492 (4) | 0.0457 (4) | 0.0196 (3) | 0.0034 (3) | −0.0007 (3) |
O7_4 | 0.0641 (5) | 0.0490 (4) | 0.0507 (4) | 0.0184 (3) | 0.0002 (3) | −0.0012 (3) |
Mg4_4 | 0.0355 (2) | 0.03682 (17) | 0.03752 (17) | 0.00179 (11) | 0.00617 (13) | −0.00205 (11) |
O1_4 | 0.0443 (4) | 0.0514 (4) | 0.0463 (4) | −0.0048 (3) | 0.0097 (3) | −0.0010 (3) |
O2_4 | 0.0481 (4) | 0.0534 (4) | 0.0474 (4) | −0.0033 (3) | 0.0047 (3) | −0.0072 (3) |
O3_4 | 0.0524 (5) | 0.0533 (4) | 0.0493 (4) | 0.0002 (3) | 0.0148 (3) | −0.0081 (3) |
O4_4 | 0.0518 (5) | 0.0609 (4) | 0.0567 (4) | −0.0128 (3) | 0.0154 (3) | −0.0060 (3) |
O5_4 | 0.0491 (4) | 0.0547 (4) | 0.0441 (3) | −0.0074 (3) | 0.0096 (3) | −0.0112 (3) |
C1_4 | 0.0549 (7) | 0.0622 (7) | 0.0789 (8) | −0.0195 (5) | 0.0210 (6) | −0.0083 (5) |
C2_4 | 0.0478 (7) | 0.0717 (7) | 0.0774 (8) | −0.0165 (6) | 0.0045 (6) | −0.0197 (6) |
C3_4 | 0.0702 (8) | 0.0553 (6) | 0.0468 (6) | −0.0023 (5) | −0.0010 (5) | −0.0141 (4) |
C4_4 | 0.0765 (8) | 0.0530 (6) | 0.0431 (5) | 0.0093 (5) | 0.0125 (5) | −0.0084 (4) |
C5_4 | 0.0612 (8) | 0.0883 (9) | 0.0637 (7) | −0.0067 (7) | 0.0291 (6) | −0.0083 (6) |
C6_4 | 0.0643 (8) | 0.0865 (9) | 0.0701 (8) | −0.0249 (7) | 0.0277 (6) | −0.0031 (6) |
C7_4 | 0.0698 (8) | 0.0575 (6) | 0.0704 (7) | −0.0239 (6) | 0.0110 (6) | −0.0112 (5) |
C8_4 | 0.0661 (8) | 0.0643 (6) | 0.0596 (7) | −0.0186 (6) | −0.0011 (6) | −0.0173 (5) |
C9_4 | 0.0601 (7) | 0.0622 (6) | 0.0372 (5) | 0.0067 (5) | 0.0115 (5) | −0.0046 (4) |
C10_4 | 0.0559 (7) | 0.0670 (6) | 0.0439 (5) | −0.0018 (5) | 0.0144 (5) | 0.0055 (5) |
O6_5 | 0.0707 (5) | 0.0492 (4) | 0.0457 (4) | 0.0196 (3) | 0.0034 (3) | −0.0007 (3) |
O7_5 | 0.0641 (5) | 0.0490 (4) | 0.0507 (4) | 0.0184 (3) | 0.0002 (3) | −0.0012 (3) |
Mg5_5 | 0.0355 (2) | 0.03682 (17) | 0.03752 (17) | 0.00179 (11) | 0.00617 (13) | −0.00205 (11) |
O1_5 | 0.0443 (4) | 0.0514 (4) | 0.0463 (4) | −0.0048 (3) | 0.0097 (3) | −0.0010 (3) |
O2_5 | 0.0481 (4) | 0.0534 (4) | 0.0474 (4) | −0.0033 (3) | 0.0047 (3) | −0.0072 (3) |
O3_5 | 0.0524 (5) | 0.0533 (4) | 0.0493 (4) | 0.0002 (3) | 0.0148 (3) | −0.0081 (3) |
O4_5 | 0.0518 (5) | 0.0609 (4) | 0.0567 (4) | −0.0128 (3) | 0.0154 (3) | −0.0060 (3) |
O5_5 | 0.0491 (4) | 0.0547 (4) | 0.0441 (3) | −0.0074 (3) | 0.0096 (3) | −0.0112 (3) |
C1_5 | 0.0549 (7) | 0.0622 (7) | 0.0789 (8) | −0.0195 (5) | 0.0210 (6) | −0.0083 (5) |
C2_5 | 0.0478 (7) | 0.0717 (7) | 0.0774 (8) | −0.0165 (6) | 0.0045 (6) | −0.0197 (6) |
C3_5 | 0.0702 (8) | 0.0553 (6) | 0.0468 (6) | −0.0023 (5) | −0.0010 (5) | −0.0141 (4) |
C4_5 | 0.0765 (8) | 0.0530 (6) | 0.0431 (5) | 0.0093 (5) | 0.0125 (5) | −0.0084 (4) |
C5_5 | 0.0612 (8) | 0.0883 (9) | 0.0637 (7) | −0.0067 (7) | 0.0291 (6) | −0.0083 (6) |
C6_5 | 0.0643 (8) | 0.0865 (9) | 0.0701 (8) | −0.0249 (7) | 0.0277 (6) | −0.0031 (6) |
C7_5 | 0.0698 (8) | 0.0575 (6) | 0.0704 (7) | −0.0239 (6) | 0.0110 (6) | −0.0112 (5) |
C8_5 | 0.0661 (8) | 0.0643 (6) | 0.0596 (7) | −0.0186 (6) | −0.0011 (6) | −0.0173 (5) |
C9_5 | 0.0601 (7) | 0.0622 (6) | 0.0372 (5) | 0.0067 (5) | 0.0115 (5) | −0.0046 (4) |
C10_5 | 0.0559 (7) | 0.0670 (6) | 0.0439 (5) | −0.0018 (5) | 0.0144 (5) | 0.0055 (5) |
O6_6 | 0.0707 (5) | 0.0492 (4) | 0.0457 (4) | 0.0196 (3) | 0.0034 (3) | −0.0007 (3) |
O7_6 | 0.0641 (5) | 0.0490 (4) | 0.0507 (4) | 0.0184 (3) | 0.0002 (3) | −0.0012 (3) |
Mg6_6 | 0.0355 (2) | 0.03682 (17) | 0.03752 (17) | 0.00179 (11) | 0.00617 (13) | −0.00205 (11) |
O1_6 | 0.0443 (4) | 0.0514 (4) | 0.0463 (4) | −0.0048 (3) | 0.0097 (3) | −0.0010 (3) |
O2_6 | 0.0481 (4) | 0.0534 (4) | 0.0474 (4) | −0.0033 (3) | 0.0047 (3) | −0.0072 (3) |
O3_6 | 0.0524 (5) | 0.0533 (4) | 0.0493 (4) | 0.0002 (3) | 0.0148 (3) | −0.0081 (3) |
O4_6 | 0.0518 (5) | 0.0609 (4) | 0.0567 (4) | −0.0128 (3) | 0.0154 (3) | −0.0060 (3) |
O5_6 | 0.0491 (4) | 0.0547 (4) | 0.0441 (3) | −0.0074 (3) | 0.0096 (3) | −0.0112 (3) |
C1_6 | 0.0549 (7) | 0.0622 (7) | 0.0789 (8) | −0.0195 (5) | 0.0210 (6) | −0.0083 (5) |
C2_6 | 0.0478 (7) | 0.0717 (7) | 0.0774 (8) | −0.0165 (6) | 0.0045 (6) | −0.0197 (6) |
C3_6 | 0.0702 (8) | 0.0553 (6) | 0.0468 (6) | −0.0023 (5) | −0.0010 (5) | −0.0141 (4) |
C4_6 | 0.0765 (8) | 0.0530 (6) | 0.0431 (5) | 0.0093 (5) | 0.0125 (5) | −0.0084 (4) |
C5_6 | 0.0612 (8) | 0.0883 (9) | 0.0637 (7) | −0.0067 (7) | 0.0291 (6) | −0.0083 (6) |
C6_6 | 0.0643 (8) | 0.0865 (9) | 0.0701 (8) | −0.0249 (7) | 0.0277 (6) | −0.0031 (6) |
C7_6 | 0.0698 (8) | 0.0575 (6) | 0.0704 (7) | −0.0239 (6) | 0.0110 (6) | −0.0112 (5) |
C8_6 | 0.0661 (8) | 0.0643 (6) | 0.0596 (7) | −0.0186 (6) | −0.0011 (6) | −0.0173 (5) |
C9_6 | 0.0601 (7) | 0.0622 (6) | 0.0372 (5) | 0.0067 (5) | 0.0115 (5) | −0.0046 (4) |
C10_6 | 0.0559 (7) | 0.0670 (6) | 0.0439 (5) | −0.0018 (5) | 0.0144 (5) | 0.0055 (5) |
O6_7 | 0.0707 (5) | 0.0492 (4) | 0.0457 (4) | 0.0196 (3) | 0.0034 (3) | −0.0007 (3) |
O7_7 | 0.0641 (5) | 0.0490 (4) | 0.0507 (4) | 0.0184 (3) | 0.0002 (3) | −0.0012 (3) |
Mg7_7 | 0.0355 (2) | 0.03682 (17) | 0.03752 (17) | 0.00179 (11) | 0.00617 (13) | −0.00205 (11) |
O1_7 | 0.0443 (4) | 0.0514 (4) | 0.0463 (4) | −0.0048 (3) | 0.0097 (3) | −0.0010 (3) |
O2_7 | 0.0481 (4) | 0.0534 (4) | 0.0474 (4) | −0.0033 (3) | 0.0047 (3) | −0.0072 (3) |
O3_7 | 0.0524 (5) | 0.0533 (4) | 0.0493 (4) | 0.0002 (3) | 0.0148 (3) | −0.0081 (3) |
O4_7 | 0.0518 (5) | 0.0609 (4) | 0.0567 (4) | −0.0128 (3) | 0.0154 (3) | −0.0060 (3) |
O5_7 | 0.0491 (4) | 0.0547 (4) | 0.0441 (3) | −0.0074 (3) | 0.0096 (3) | −0.0112 (3) |
C1_7 | 0.0549 (7) | 0.0622 (7) | 0.0789 (8) | −0.0195 (5) | 0.0210 (6) | −0.0083 (5) |
C2_7 | 0.0478 (7) | 0.0717 (7) | 0.0774 (8) | −0.0165 (6) | 0.0045 (6) | −0.0197 (6) |
C3_7 | 0.0702 (8) | 0.0553 (6) | 0.0468 (6) | −0.0023 (5) | −0.0010 (5) | −0.0141 (4) |
C4_7 | 0.0765 (8) | 0.0530 (6) | 0.0431 (5) | 0.0093 (5) | 0.0125 (5) | −0.0084 (4) |
C5_7 | 0.0612 (8) | 0.0883 (9) | 0.0637 (7) | −0.0067 (7) | 0.0291 (6) | −0.0083 (6) |
C6_7 | 0.0643 (8) | 0.0865 (9) | 0.0701 (8) | −0.0249 (7) | 0.0277 (6) | −0.0031 (6) |
C7_7 | 0.0698 (8) | 0.0575 (6) | 0.0704 (7) | −0.0239 (6) | 0.0110 (6) | −0.0112 (5) |
C8_7 | 0.0661 (8) | 0.0643 (6) | 0.0596 (7) | −0.0186 (6) | −0.0011 (6) | −0.0173 (5) |
C9_7 | 0.0601 (7) | 0.0622 (6) | 0.0372 (5) | 0.0067 (5) | 0.0115 (5) | −0.0046 (4) |
C10_7 | 0.0559 (7) | 0.0670 (6) | 0.0439 (5) | −0.0018 (5) | 0.0144 (5) | 0.0055 (5) |
Mg10_10 | 0.0355 (2) | 0.03682 (17) | 0.03752 (17) | 0.00179 (11) | 0.00617 (13) | −0.00205 (11) |
O1_10 | 0.0443 (4) | 0.0514 (4) | 0.0463 (4) | −0.0048 (3) | 0.0097 (3) | −0.0010 (3) |
O2_10 | 0.0481 (4) | 0.0534 (4) | 0.0474 (4) | −0.0033 (3) | 0.0047 (3) | −0.0072 (3) |
O3_10 | 0.0524 (5) | 0.0533 (4) | 0.0493 (4) | 0.0002 (3) | 0.0148 (3) | −0.0081 (3) |
O4_10 | 0.0518 (5) | 0.0609 (4) | 0.0567 (4) | −0.0128 (3) | 0.0154 (3) | −0.0060 (3) |
O5_10 | 0.0491 (4) | 0.0547 (4) | 0.0441 (3) | −0.0074 (3) | 0.0096 (3) | −0.0112 (3) |
C1_10 | 0.0549 (7) | 0.0622 (7) | 0.0789 (8) | −0.0195 (5) | 0.0210 (6) | −0.0083 (5) |
C2_10 | 0.0478 (7) | 0.0717 (7) | 0.0774 (8) | −0.0165 (6) | 0.0045 (6) | −0.0197 (6) |
C3_10 | 0.0702 (8) | 0.0553 (6) | 0.0468 (6) | −0.0023 (5) | −0.0010 (5) | −0.0141 (4) |
C4_10 | 0.0765 (8) | 0.0530 (6) | 0.0431 (5) | 0.0093 (5) | 0.0125 (5) | −0.0084 (4) |
C5_10 | 0.0612 (8) | 0.0883 (9) | 0.0637 (7) | −0.0067 (7) | 0.0291 (6) | −0.0083 (6) |
C6_10 | 0.0643 (8) | 0.0865 (9) | 0.0701 (8) | −0.0249 (7) | 0.0277 (6) | −0.0031 (6) |
C7_10 | 0.0698 (8) | 0.0575 (6) | 0.0704 (7) | −0.0239 (6) | 0.0110 (6) | −0.0112 (5) |
C8_10 | 0.0661 (8) | 0.0643 (6) | 0.0596 (7) | −0.0186 (6) | −0.0011 (6) | −0.0173 (5) |
C9_10 | 0.0601 (7) | 0.0622 (6) | 0.0372 (5) | 0.0067 (5) | 0.0115 (5) | −0.0046 (4) |
C10_10 | 0.0559 (7) | 0.0670 (6) | 0.0439 (5) | −0.0018 (5) | 0.0144 (5) | 0.0055 (5) |
O6_8 | 0.0707 (5) | 0.0492 (4) | 0.0457 (4) | 0.0196 (3) | 0.0034 (3) | −0.0007 (3) |
O7_8 | 0.0641 (5) | 0.0490 (4) | 0.0507 (4) | 0.0184 (3) | 0.0002 (3) | −0.0012 (3) |
Mg8_8 | 0.0355 (2) | 0.03682 (17) | 0.03752 (17) | 0.00179 (11) | 0.00617 (13) | −0.00205 (11) |
O1_8 | 0.0443 (4) | 0.0514 (4) | 0.0463 (4) | −0.0048 (3) | 0.0097 (3) | −0.0010 (3) |
O2_8 | 0.0481 (4) | 0.0534 (4) | 0.0474 (4) | −0.0033 (3) | 0.0047 (3) | −0.0072 (3) |
O3_8 | 0.0524 (5) | 0.0533 (4) | 0.0493 (4) | 0.0002 (3) | 0.0148 (3) | −0.0081 (3) |
O4_8 | 0.0518 (5) | 0.0609 (4) | 0.0567 (4) | −0.0128 (3) | 0.0154 (3) | −0.0060 (3) |
O5_8 | 0.0491 (4) | 0.0547 (4) | 0.0441 (3) | −0.0074 (3) | 0.0096 (3) | −0.0112 (3) |
C1_8 | 0.0549 (7) | 0.0622 (7) | 0.0789 (8) | −0.0195 (5) | 0.0210 (6) | −0.0083 (5) |
C2_8 | 0.0478 (7) | 0.0717 (7) | 0.0774 (8) | −0.0165 (6) | 0.0045 (6) | −0.0197 (6) |
C3_8 | 0.0702 (8) | 0.0553 (6) | 0.0468 (6) | −0.0023 (5) | −0.0010 (5) | −0.0141 (4) |
C4_8 | 0.0765 (8) | 0.0530 (6) | 0.0431 (5) | 0.0093 (5) | 0.0125 (5) | −0.0084 (4) |
C5_8 | 0.0612 (8) | 0.0883 (9) | 0.0637 (7) | −0.0067 (7) | 0.0291 (6) | −0.0083 (6) |
C6_8 | 0.0643 (8) | 0.0865 (9) | 0.0701 (8) | −0.0249 (7) | 0.0277 (6) | −0.0031 (6) |
C7_8 | 0.0698 (8) | 0.0575 (6) | 0.0704 (7) | −0.0239 (6) | 0.0110 (6) | −0.0112 (5) |
C8_8 | 0.0661 (8) | 0.0643 (6) | 0.0596 (7) | −0.0186 (6) | −0.0011 (6) | −0.0173 (5) |
C9_8 | 0.0601 (7) | 0.0622 (6) | 0.0372 (5) | 0.0067 (5) | 0.0115 (5) | −0.0046 (4) |
C10_8 | 0.0559 (7) | 0.0670 (6) | 0.0439 (5) | −0.0018 (5) | 0.0144 (5) | 0.0055 (5) |
N1_11 | 0.0584 (6) | 0.0393 (4) | 0.0501 (5) | 0.0020 (4) | 0.0126 (4) | −0.0026 (3) |
O8_11 | 0.1374 (10) | 0.0680 (6) | 0.1145 (8) | −0.0214 (6) | 0.0433 (7) | 0.0235 (5) |
O9_11 | 0.0886 (7) | 0.0931 (7) | 0.0671 (5) | −0.0229 (5) | −0.0065 (5) | −0.0106 (5) |
O10_11 | 0.0803 (7) | 0.0888 (6) | 0.0746 (5) | 0.0154 (5) | −0.0122 (5) | 0.0086 (5) |
N2_12 | 0.0558 (5) | 0.0414 (4) | 0.0450 (4) | 0.0026 (4) | 0.0099 (4) | −0.0028 (3) |
O8_12 | 0.1026 (8) | 0.0651 (5) | 0.0790 (6) | −0.0249 (5) | 0.0100 (5) | 0.0167 (4) |
O9_12 | 0.0949 (7) | 0.0740 (6) | 0.0711 (5) | −0.0295 (5) | −0.0061 (5) | 0.0055 (4) |
O10_12 | 0.0806 (7) | 0.0947 (7) | 0.0839 (6) | 0.0230 (5) | −0.0149 (5) | 0.0079 (5) |
N3_13 | 0.0584 (6) | 0.0393 (4) | 0.0501 (5) | 0.0020 (4) | 0.0126 (4) | −0.0026 (3) |
O8_13 | 0.1374 (10) | 0.0680 (6) | 0.1145 (8) | −0.0214 (6) | 0.0433 (7) | 0.0235 (5) |
O9_13 | 0.0886 (7) | 0.0931 (7) | 0.0671 (5) | −0.0229 (5) | −0.0065 (5) | −0.0106 (5) |
O10_13 | 0.0803 (7) | 0.0888 (6) | 0.0746 (5) | 0.0154 (5) | −0.0122 (5) | 0.0086 (5) |
N4_14 | 0.0584 (6) | 0.0393 (4) | 0.0501 (5) | 0.0020 (4) | 0.0126 (4) | −0.0026 (3) |
O8_14 | 0.1374 (10) | 0.0680 (6) | 0.1145 (8) | −0.0214 (6) | 0.0433 (7) | 0.0235 (5) |
O9_14 | 0.0886 (7) | 0.0931 (7) | 0.0671 (5) | −0.0229 (5) | −0.0065 (5) | −0.0106 (5) |
O10_14 | 0.0803 (7) | 0.0888 (6) | 0.0746 (5) | 0.0154 (5) | −0.0122 (5) | 0.0086 (5) |
N5_15 | 0.0558 (5) | 0.0414 (4) | 0.0450 (4) | 0.0026 (4) | 0.0099 (4) | −0.0028 (3) |
O8_15 | 0.1026 (8) | 0.0651 (5) | 0.0790 (6) | −0.0249 (5) | 0.0100 (5) | 0.0167 (4) |
O9_15 | 0.0949 (7) | 0.0740 (6) | 0.0711 (5) | −0.0295 (5) | −0.0061 (5) | 0.0055 (4) |
O10_15 | 0.0806 (7) | 0.0947 (7) | 0.0839 (6) | 0.0230 (5) | −0.0149 (5) | 0.0079 (5) |
N6_16 | 0.0584 (6) | 0.0393 (4) | 0.0501 (5) | 0.0020 (4) | 0.0126 (4) | −0.0026 (3) |
O8_16 | 0.1374 (10) | 0.0680 (6) | 0.1145 (8) | −0.0214 (6) | 0.0433 (7) | 0.0235 (5) |
O9_16 | 0.0886 (7) | 0.0931 (7) | 0.0671 (5) | −0.0229 (5) | −0.0065 (5) | −0.0106 (5) |
O10_16 | 0.0803 (7) | 0.0888 (6) | 0.0746 (5) | 0.0154 (5) | −0.0122 (5) | 0.0086 (5) |
N7_17 | 0.0558 (5) | 0.0414 (4) | 0.0450 (4) | 0.0026 (4) | 0.0099 (4) | −0.0028 (3) |
O8_17 | 0.1026 (8) | 0.0651 (5) | 0.0790 (6) | −0.0249 (5) | 0.0100 (5) | 0.0167 (4) |
O9_17 | 0.0949 (7) | 0.0740 (6) | 0.0711 (5) | −0.0295 (5) | −0.0061 (5) | 0.0055 (4) |
O10_17 | 0.0806 (7) | 0.0947 (7) | 0.0839 (6) | 0.0230 (5) | −0.0149 (5) | 0.0079 (5) |
N8_18 | 0.0558 (5) | 0.0414 (4) | 0.0450 (4) | 0.0026 (4) | 0.0099 (4) | −0.0028 (3) |
O8_18 | 0.1026 (8) | 0.0651 (5) | 0.0790 (6) | −0.0249 (5) | 0.0100 (5) | 0.0167 (4) |
O9_18 | 0.0949 (7) | 0.0740 (6) | 0.0711 (5) | −0.0295 (5) | −0.0061 (5) | 0.0055 (4) |
O10_18 | 0.0806 (7) | 0.0947 (7) | 0.0839 (6) | 0.0230 (5) | −0.0149 (5) | 0.0079 (5) |
N9_19 | 0.0558 (5) | 0.0414 (4) | 0.0450 (4) | 0.0026 (4) | 0.0099 (4) | −0.0028 (3) |
O8_19 | 0.1026 (8) | 0.0651 (5) | 0.0790 (6) | −0.0249 (5) | 0.0100 (5) | 0.0167 (4) |
O9_19 | 0.0949 (7) | 0.0740 (6) | 0.0711 (5) | −0.0295 (5) | −0.0061 (5) | 0.0055 (4) |
O10_19 | 0.0806 (7) | 0.0947 (7) | 0.0839 (6) | 0.0230 (5) | −0.0149 (5) | 0.0079 (5) |
N10_20 | 0.0584 (6) | 0.0393 (4) | 0.0501 (5) | 0.0020 (4) | 0.0126 (4) | −0.0026 (3) |
O8_20 | 0.1374 (10) | 0.0680 (6) | 0.1145 (8) | −0.0214 (6) | 0.0433 (7) | 0.0235 (5) |
O9_20 | 0.0886 (7) | 0.0931 (7) | 0.0671 (5) | −0.0229 (5) | −0.0065 (5) | −0.0106 (5) |
O10_20 | 0.0803 (7) | 0.0888 (6) | 0.0746 (5) | 0.0154 (5) | −0.0122 (5) | 0.0086 (5) |
N11_21 | 0.0558 (5) | 0.0414 (4) | 0.0450 (4) | 0.0026 (4) | 0.0099 (4) | −0.0028 (3) |
O8_21 | 0.1026 (8) | 0.0651 (5) | 0.0790 (6) | −0.0249 (5) | 0.0100 (5) | 0.0167 (4) |
O9_21 | 0.0949 (7) | 0.0740 (6) | 0.0711 (5) | −0.0295 (5) | −0.0061 (5) | 0.0055 (4) |
O10_21 | 0.0806 (7) | 0.0947 (7) | 0.0839 (6) | 0.0230 (5) | −0.0149 (5) | 0.0079 (5) |
N12_22 | 0.0558 (5) | 0.0414 (4) | 0.0450 (4) | 0.0026 (4) | 0.0099 (4) | −0.0028 (3) |
O8_22 | 0.1026 (8) | 0.0651 (5) | 0.0790 (6) | −0.0249 (5) | 0.0100 (5) | 0.0167 (4) |
O9_22 | 0.0949 (7) | 0.0740 (6) | 0.0711 (5) | −0.0295 (5) | −0.0061 (5) | 0.0055 (4) |
O10_22 | 0.0806 (7) | 0.0947 (7) | 0.0839 (6) | 0.0230 (5) | −0.0149 (5) | 0.0079 (5) |
N13_23 | 0.0584 (6) | 0.0393 (4) | 0.0501 (5) | 0.0020 (4) | 0.0126 (4) | −0.0026 (3) |
O8_23 | 0.1374 (10) | 0.0680 (6) | 0.1145 (8) | −0.0214 (6) | 0.0433 (7) | 0.0235 (5) |
O9_23 | 0.0886 (7) | 0.0931 (7) | 0.0671 (5) | −0.0229 (5) | −0.0065 (5) | −0.0106 (5) |
O10_23 | 0.0803 (7) | 0.0888 (6) | 0.0746 (5) | 0.0154 (5) | −0.0122 (5) | 0.0086 (5) |
N14_24 | 0.0558 (5) | 0.0414 (4) | 0.0450 (4) | 0.0026 (4) | 0.0099 (4) | −0.0028 (3) |
O8_24 | 0.1026 (8) | 0.0651 (5) | 0.0790 (6) | −0.0249 (5) | 0.0100 (5) | 0.0167 (4) |
O9_24 | 0.0949 (7) | 0.0740 (6) | 0.0711 (5) | −0.0295 (5) | −0.0061 (5) | 0.0055 (4) |
O10_24 | 0.0806 (7) | 0.0947 (7) | 0.0839 (6) | 0.0230 (5) | −0.0149 (5) | 0.0079 (5) |
N15_25 | 0.0584 (6) | 0.0393 (4) | 0.0501 (5) | 0.0020 (4) | 0.0126 (4) | −0.0026 (3) |
O8_25 | 0.1374 (10) | 0.0680 (6) | 0.1145 (8) | −0.0214 (6) | 0.0433 (7) | 0.0235 (5) |
O9_25 | 0.0886 (7) | 0.0931 (7) | 0.0671 (5) | −0.0229 (5) | −0.0065 (5) | −0.0106 (5) |
O10_25 | 0.0803 (7) | 0.0888 (6) | 0.0746 (5) | 0.0154 (5) | −0.0122 (5) | 0.0086 (5) |
N16_26 | 0.0584 (6) | 0.0393 (4) | 0.0501 (5) | 0.0020 (4) | 0.0126 (4) | −0.0026 (3) |
O8_26 | 0.1374 (10) | 0.0680 (6) | 0.1145 (8) | −0.0214 (6) | 0.0433 (7) | 0.0235 (5) |
O9_26 | 0.0886 (7) | 0.0931 (7) | 0.0671 (5) | −0.0229 (5) | −0.0065 (5) | −0.0106 (5) |
O10_26 | 0.0803 (7) | 0.0888 (6) | 0.0746 (5) | 0.0154 (5) | −0.0122 (5) | 0.0086 (5) |
O6_1—Mg1_1 | 2.023 (4) | C2_5—H22_5 | 0.9700 |
O6_1—H1W_1 | 0.814 (9) | C3_5—C4_5 | 1.487 (6) |
O6_1—H2W_1 | 0.808 (9) | C3_5—H31_5 | 0.9700 |
O7_1—Mg1_1 | 1.975 (4) | C3_5—H32_5 | 0.9700 |
O7_1—H3W_1 | 0.813 (9) | C4_5—H41_5 | 0.9700 |
O7_1—H4W_1 | 0.810 (9) | C4_5—H42_5 | 0.9700 |
Mg1_1—O5_1 | 2.113 (3) | C5_5—C6_5 | 1.497 (7) |
Mg1_1—O2_1 | 2.180 (4) | C5_5—H51_5 | 0.9700 |
Mg1_1—O3_1 | 2.193 (4) | C5_5—H52_5 | 0.9700 |
Mg1_1—O4_1 | 2.215 (4) | C6_5—H61_5 | 0.9700 |
Mg1_1—O1_1 | 2.224 (4) | C6_5—H62_5 | 0.9700 |
O1_1—C1_1 | 1.426 (6) | C7_5—C8_5 | 1.472 (6) |
O1_1—C10_1 | 1.430 (5) | C7_5—H71_5 | 0.9700 |
O2_1—C2_1 | 1.422 (5) | C7_5—H72_5 | 0.9700 |
O2_1—C3_1 | 1.431 (5) | C8_5—H81_5 | 0.9700 |
O3_1—C5_1 | 1.426 (5) | C8_5—H82_5 | 0.9700 |
O3_1—C4_1 | 1.444 (6) | C9_5—C10_5 | 1.498 (6) |
O4_1—C7_1 | 1.420 (6) | C9_5—H91_5 | 0.9700 |
O4_1—C6_1 | 1.439 (5) | C9_5—H92_5 | 0.9700 |
O5_1—C8_1 | 1.423 (5) | C10_5—H101_5 | 0.9700 |
O5_1—C9_1 | 1.438 (5) | C10_5—H102_5 | 0.9700 |
C1_1—C2_1 | 1.496 (6) | O6_6—Mg6_6 | 2.018 (4) |
C1_1—H11_1 | 0.9700 | O6_6—H1W_6 | 0.816 (9) |
C1_1—H12_1 | 0.9700 | O6_6—H2W_6 | 0.816 (9) |
C2_1—H21_1 | 0.9700 | O7_6—Mg6_6 | 1.993 (4) |
C2_1—H22_1 | 0.9700 | O7_6—H3W_6 | 0.819 (9) |
C3_1—C4_1 | 1.502 (6) | O7_6—H4W_6 | 0.819 (10) |
C3_1—H31_1 | 0.9700 | Mg6_6—O5_6 | 2.109 (4) |
C3_1—H32_1 | 0.9700 | Mg6_6—O2_6 | 2.179 (4) |
C4_1—H41_1 | 0.9700 | Mg6_6—O3_6 | 2.199 (4) |
C4_1—H42_1 | 0.9700 | Mg6_6—O1_6 | 2.216 (4) |
C5_1—C6_1 | 1.498 (7) | Mg6_6—O4_6 | 2.230 (4) |
C5_1—H51_1 | 0.9700 | O1_6—C1_6 | 1.431 (6) |
C5_1—H52_1 | 0.9700 | O1_6—C10_6 | 1.446 (5) |
C6_1—H61_1 | 0.9700 | O2_6—C3_6 | 1.417 (5) |
C6_1—H62_1 | 0.9700 | O2_6—C2_6 | 1.418 (5) |
C7_1—C8_1 | 1.499 (6) | O3_6—C5_6 | 1.419 (5) |
C7_1—H71_1 | 0.9700 | O3_6—C4_6 | 1.440 (6) |
C7_1—H72_1 | 0.9700 | O4_6—C6_6 | 1.410 (5) |
C8_1—H81_1 | 0.9700 | O4_6—C7_6 | 1.429 (6) |
C8_1—H82_1 | 0.9700 | O5_6—C9_6 | 1.420 (5) |
C9_1—C10_1 | 1.482 (6) | O5_6—C8_6 | 1.426 (5) |
C9_1—H91_1 | 0.9700 | C1_6—C2_6 | 1.502 (6) |
C9_1—H92_1 | 0.9700 | C1_6—H11_6 | 0.9700 |
C10_1—H101_1 | 0.9700 | C1_6—H12_6 | 0.9700 |
C10_1—H102_1 | 0.9700 | C2_6—H21_6 | 0.9700 |
O6_2—Mg2_2 | 2.002 (4) | C2_6—H22_6 | 0.9700 |
O6_2—H1W_2 | 0.815 (9) | C3_6—C4_6 | 1.495 (6) |
O6_2—H2W_2 | 0.819 (9) | C3_6—H31_6 | 0.9700 |
O7_2—Mg2_2 | 2.047 (4) | C3_6—H32_6 | 0.9700 |
O7_2—H3W_2 | 0.811 (9) | C4_6—H41_6 | 0.9700 |
O7_2—H4W_2 | 0.807 (9) | C4_6—H42_6 | 0.9700 |
Mg2_2—O5_2 | 2.120 (4) | C5_6—C6_6 | 1.497 (7) |
Mg2_2—O2_2 | 2.168 (4) | C5_6—H51_6 | 0.9700 |
Mg2_2—O3_2 | 2.194 (4) | C5_6—H52_6 | 0.9700 |
Mg2_2—O4_2 | 2.224 (4) | C6_6—H61_6 | 0.9700 |
Mg2_2—O1_2 | 2.239 (4) | C6_6—H62_6 | 0.9700 |
O1_2—C1_2 | 1.437 (6) | C7_6—C8_6 | 1.474 (6) |
O1_2—C10_2 | 1.442 (5) | C7_6—H71_6 | 0.9700 |
O2_2—C3_2 | 1.425 (5) | C7_6—H72_6 | 0.9700 |
O2_2—C2_2 | 1.430 (5) | C8_6—H81_6 | 0.9700 |
O3_2—C4_2 | 1.417 (6) | C8_6—H82_6 | 0.9700 |
O3_2—C5_2 | 1.419 (5) | C9_6—C10_6 | 1.482 (6) |
O4_2—C7_2 | 1.419 (6) | C9_6—H91_6 | 0.9700 |
O4_2—C6_2 | 1.421 (5) | C9_6—H92_6 | 0.9700 |
O5_2—C8_2 | 1.411 (5) | C10_6—H101_6 | 0.9700 |
O5_2—C9_2 | 1.411 (5) | C10_6—H102_6 | 0.9700 |
C1_2—C2_2 | 1.509 (6) | O6_7—Mg7_7 | 1.965 (5) |
C1_2—H11_2 | 0.9700 | O6_7—Mg10_10 | 2.065 (5) |
C1_2—H12_2 | 0.9700 | O6_7—H1W_7 | 0.823 (9) |
C2_2—H21_2 | 0.9700 | O6_7—H2W_7 | 0.817 (9) |
C2_2—H22_2 | 0.9700 | O7_7—Mg10_10 | 1.965 (5) |
C3_2—C4_2 | 1.492 (6) | O7_7—Mg7_7 | 2.058 (5) |
C3_2—H31_2 | 0.9700 | O7_7—H3W_7 | 0.818 (10) |
C3_2—H32_2 | 0.9700 | O7_7—H4W_7 | 0.816 (9) |
C4_2—H41_2 | 0.9700 | Mg7_7—O5_7 | 2.120 (4) |
C4_2—H42_2 | 0.9700 | Mg7_7—O2_7 | 2.172 (5) |
C5_2—C6_2 | 1.509 (7) | Mg7_7—O3_7 | 2.172 (5) |
C5_2—H51_2 | 0.9700 | Mg7_7—O4_7 | 2.227 (5) |
C5_2—H52_2 | 0.9700 | Mg7_7—O1_7 | 2.239 (5) |
C6_2—H61_2 | 0.9700 | O1_7—C1_7 | 1.431 (7) |
C6_2—H62_2 | 0.9700 | O1_7—C10_7 | 1.436 (6) |
C7_2—C8_2 | 1.466 (6) | O2_7—C2_7 | 1.423 (6) |
C7_2—H71_2 | 0.9700 | O2_7—C3_7 | 1.430 (6) |
C7_2—H72_2 | 0.9700 | O3_7—C5_7 | 1.404 (7) |
C8_2—H81_2 | 0.9700 | O3_7—C4_7 | 1.419 (6) |
C8_2—H82_2 | 0.9700 | O4_7—C7_7 | 1.418 (7) |
C9_2—C10_2 | 1.500 (7) | O4_7—C6_7 | 1.443 (6) |
C9_2—H91_2 | 0.9700 | O5_7—C8_7 | 1.405 (6) |
C9_2—H92_2 | 0.9700 | O5_7—C9_7 | 1.424 (6) |
C10_2—H101_2 | 0.9700 | C1_7—C2_7 | 1.518 (7) |
C10_2—H102_2 | 0.9700 | C1_7—H11_7 | 0.9700 |
O6_3—Mg3_3 | 2.008 (5) | C1_7—H12_7 | 0.9700 |
O6_3—Mg9_9 | 2.120 (5) | C1_7—H6A_10 | 1.0315 |
O6_3—H1W_3 | 0.817 (9) | C1_7—H6B_10 | 1.2575 |
O6_3—H2W_3 | 0.811 (9) | C2_7—H21_7 | 0.9700 |
O7_3—Mg9_9 | 1.917 (5) | C2_7—H22_7 | 0.9700 |
O7_3—Mg3_3 | 2.021 (5) | C2_7—H7B_10 | 0.9996 |
O7_3—H3W_3 | 0.810 (9) | C3_7—C4_7 | 1.502 (7) |
O7_3—H4W_3 | 0.812 (9) | C3_7—H31_7 | 0.9700 |
Mg3_3—O5_3 | 2.128 (4) | C3_7—H32_7 | 0.9700 |
Mg3_3—O2_3 | 2.174 (5) | C3_7—H8A_10 | 0.8974 |
Mg3_3—O3_3 | 2.195 (4) | C3_7—H8B_10 | 1.1388 |
Mg3_3—O1_3 | 2.217 (5) | C4_7—H41_7 | 0.9700 |
Mg3_3—O4_3 | 2.231 (5) | C4_7—H42_7 | 0.9700 |
O1_3—C1_3 | 1.425 (7) | C4_7—H9A_10 | 1.0649 |
O1_3—C10_3 | 1.434 (6) | C4_7—H9B_10 | 0.9303 |
O2_3—C2_3 | 1.411 (6) | C5_7—C6_7 | 1.508 (8) |
O2_3—C3_3 | 1.441 (6) | C5_7—H51_7 | 0.9700 |
O3_3—C5_3 | 1.415 (6) | C5_7—H52_7 | 0.9700 |
O3_3—C4_3 | 1.438 (6) | C5_7—H10B_10 | 0.9350 |
O4_3—C7_3 | 1.422 (6) | C6_7—H61_7 | 0.9700 |
O4_3—C6_3 | 1.436 (6) | C6_7—H62_7 | 0.9700 |
O5_3—C9_3 | 1.403 (6) | C6_7—H1A_10 | 1.0441 |
O5_3—C8_3 | 1.408 (6) | C6_7—H1B_10 | 1.1682 |
C1_3—C2_3 | 1.530 (7) | C7_7—C8_7 | 1.492 (7) |
C1_3—H11_3 | 0.9700 | C7_7—H71_7 | 0.9700 |
C1_3—H12_3 | 0.9700 | C7_7—H72_7 | 0.9700 |
C1_3—H6A_9 | 1.1827 | C7_7—H2A_10 | 1.0839 |
C1_3—H6B_9 | 1.1137 | C8_7—H81_7 | 0.9700 |
C2_3—H21_3 | 0.9700 | C8_7—H82_7 | 0.9700 |
C2_3—H22_3 | 0.9700 | C8_7—H3A_10 | 1.3945 |
C2_3—H7A_9 | 0.9417 | C8_7—H3B_10 | 0.9888 |
C3_3—C4_3 | 1.491 (7) | C9_7—C10_7 | 1.497 (7) |
C3_3—H31_3 | 0.9700 | C9_7—H91_7 | 0.9700 |
C3_3—H32_3 | 0.9700 | C9_7—H92_7 | 0.9700 |
C3_3—H8A_9 | 1.0446 | C9_7—H4A_10 | 1.1882 |
C3_3—H8B_9 | 0.9916 | C9_7—H4B_10 | 1.1184 |
C4_3—H41_3 | 0.9700 | C10_7—H101_7 | 0.9700 |
C4_3—H42_3 | 0.9700 | C10_7—H102_7 | 0.9700 |
C4_3—H9A_9 | 0.8540 | C10_7—H5A_10 | 1.0622 |
C4_3—H9B_9 | 1.1005 | Mg10_10—O5_10 | 2.1207 |
C5_3—C6_3 | 1.494 (8) | Mg10_10—O2_10 | 2.1692 |
C5_3—H51_3 | 0.9700 | Mg10_10—O3_10 | 2.1869 |
C5_3—H52_3 | 0.9700 | Mg10_10—O4_10 | 2.2218 |
C5_3—H10A_9 | 0.9626 | Mg10_10—O1_10 | 2.2356 |
C6_3—H61_3 | 0.9700 | Mg10_10—H4W_7 | 2.38 (4) |
C6_3—H62_3 | 0.9700 | O1_10—C10_10 | 1.4183 |
C6_3—H1A_9 | 1.2628 | O1_10—C1_10 | 1.4592 |
C6_3—H1B_9 | 0.9772 | O2_10—C2_10 | 1.4093 |
C7_3—C8_3 | 1.494 (7) | O2_10—C3_10 | 1.4145 |
C7_3—H71_3 | 0.9700 | O3_10—C4_10 | 1.4422 |
C7_3—H72_3 | 0.9700 | O3_10—C5_10 | 1.4518 |
C7_3—H2B_9 | 1.0661 | O4_10—C7_10 | 1.4118 |
C8_3—H81_3 | 0.9700 | O4_10—C6_10 | 1.4297 |
C8_3—H82_3 | 0.9700 | O5_10—C9_10 | 1.4098 |
C8_3—H3A_9 | 1.0345 | O5_10—C8_10 | 1.4118 |
C8_3—H3B_9 | 1.4769 | C1_10—C2_10 | 1.5235 |
C9_3—C10_3 | 1.501 (7) | C1_10—H1A_10 | 0.9701 |
C9_3—H91_3 | 0.9700 | C1_10—H1B_10 | 0.9701 |
C9_3—H92_3 | 0.9700 | C2_10—H2A_10 | 0.9699 |
C9_3—H4A_9 | 1.1218 | C2_10—H2B_10 | 0.9700 |
C9_3—H4B_9 | 1.1792 | C3_10—C4_10 | 1.5055 |
C10_3—H101_3 | 0.9700 | C3_10—H3A_10 | 0.9700 |
C10_3—H102_3 | 0.9700 | C3_10—H3B_10 | 0.9699 |
C10_3—H5B_9 | 1.0910 | C4_10—H4A_10 | 0.9700 |
Mg9_9—O5_9 | 2.1034 | C4_10—H4B_10 | 0.9703 |
Mg9_9—O2_9 | 2.1737 | C5_10—C6_10 | 1.4812 |
Mg9_9—O3_9 | 2.2045 | C5_10—H5A_10 | 0.9702 |
Mg9_9—O1_9 | 2.2211 | C5_10—H5B_10 | 0.9699 |
Mg9_9—O4_9 | 2.2226 | C6_10—H6A_10 | 0.9701 |
O1_9—C1_9 | 1.4190 | C6_10—H6B_10 | 0.9701 |
O1_9—C10_9 | 1.4468 | C7_10—C8_10 | 1.5271 |
O2_9—C3_9 | 1.4344 | C7_10—H7A_10 | 0.9699 |
O2_9—C2_9 | 1.4508 | C7_10—H7B_10 | 0.9700 |
O3_9—C5_9 | 1.3920 | C8_10—H8A_10 | 0.9700 |
O3_9—C4_9 | 1.4268 | C8_10—H8B_10 | 0.9700 |
O4_9—C6_9 | 1.4122 | C9_10—C10_10 | 1.4899 |
O4_9—C7_9 | 1.4349 | C9_10—H9A_10 | 0.9700 |
O5_9—C9_9 | 1.4254 | C9_10—H9B_10 | 0.9699 |
O5_9—C8_9 | 1.4281 | C10_10—H10A_10 | 0.9700 |
C1_9—C2_9 | 1.4656 | C10_10—H10B_10 | 0.9699 |
C1_9—H1A_9 | 0.9699 | O6_8—Mg8_8 | 2.006 (4) |
C1_9—H1B_9 | 0.9700 | O6_8—H1W_8 | 0.822 (9) |
C2_9—H2A_9 | 0.9700 | O6_8—H2W_8 | 0.817 (9) |
C2_9—H2B_9 | 0.9699 | O7_8—Mg8_8 | 2.036 (4) |
C3_9—C4_9 | 1.4876 | O7_8—H3W_8 | 0.818 (10) |
C3_9—H3A_9 | 0.9700 | O7_8—H4W_8 | 0.811 (9) |
C3_9—H3B_9 | 0.9700 | Mg8_8—O5_8 | 2.119 (4) |
C4_9—H4A_9 | 0.9699 | Mg8_8—O2_8 | 2.170 (4) |
C4_9—H4B_9 | 0.9700 | Mg8_8—O3_8 | 2.192 (4) |
C5_9—C6_9 | 1.5249 | Mg8_8—O4_8 | 2.199 (4) |
C5_9—H5A_9 | 0.9699 | Mg8_8—O1_8 | 2.233 (4) |
C5_9—H5B_9 | 0.9700 | O1_8—C10_8 | 1.434 (5) |
C6_9—H6A_9 | 0.9700 | O1_8—C1_8 | 1.442 (6) |
C6_9—H6B_9 | 0.9701 | O2_8—C2_8 | 1.426 (5) |
C7_9—C8_9 | 1.4423 | O2_8—C3_8 | 1.435 (5) |
C7_9—H7A_9 | 0.9701 | O3_8—C4_8 | 1.421 (6) |
C7_9—H7B_9 | 0.9700 | O3_8—C5_8 | 1.436 (5) |
C8_9—H8A_9 | 0.9700 | O4_8—C7_8 | 1.416 (6) |
C8_9—H8B_9 | 0.9699 | O4_8—C6_8 | 1.432 (5) |
C9_9—C10_9 | 1.4980 | O5_8—C9_8 | 1.423 (5) |
C9_9—H9A_9 | 0.9698 | O5_8—C8_8 | 1.423 (5) |
C9_9—H9B_9 | 0.9700 | C1_8—C2_8 | 1.497 (6) |
C10_9—H10A_9 | 0.9700 | C1_8—H11_8 | 0.9700 |
C10_9—H10B_9 | 0.9700 | C1_8—H12_8 | 0.9700 |
O6_4—Mg4_4 | 2.037 (4) | C2_8—H21_8 | 0.9700 |
O6_4—H1W_4 | 0.818 (9) | C2_8—H22_8 | 0.9700 |
O6_4—H2W_4 | 0.820 (9) | C3_8—C4_8 | 1.485 (6) |
O7_4—Mg4_4 | 1.983 (4) | C3_8—H31_8 | 0.9700 |
O7_4—H3W_4 | 0.815 (9) | C3_8—H32_8 | 0.9700 |
O7_4—H4W_4 | 0.809 (9) | C4_8—H41_8 | 0.9700 |
Mg4_4—O5_4 | 2.097 (4) | C4_8—H42_8 | 0.9700 |
Mg4_4—O2_4 | 2.184 (4) | C5_8—C6_8 | 1.503 (7) |
Mg4_4—O3_4 | 2.189 (4) | C5_8—H51_8 | 0.9700 |
Mg4_4—O1_4 | 2.214 (4) | C5_8—H52_8 | 0.9700 |
Mg4_4—O4_4 | 2.224 (4) | C6_8—H61_8 | 0.9700 |
O1_4—C10_4 | 1.425 (5) | C6_8—H62_8 | 0.9700 |
O1_4—C1_4 | 1.427 (6) | C7_8—C8_8 | 1.492 (6) |
O2_4—C2_4 | 1.414 (5) | C7_8—H71_8 | 0.9700 |
O2_4—C3_4 | 1.429 (5) | C7_8—H72_8 | 0.9700 |
O3_4—C5_4 | 1.422 (5) | C8_8—H81_8 | 0.9700 |
O3_4—C4_4 | 1.435 (6) | C8_8—H82_8 | 0.9700 |
O4_4—C6_4 | 1.423 (5) | C9_8—C10_8 | 1.505 (6) |
O4_4—C7_4 | 1.430 (6) | C9_8—H91_8 | 0.9700 |
O5_4—C9_4 | 1.429 (5) | C9_8—H92_8 | 0.9700 |
O5_4—C8_4 | 1.433 (5) | C10_8—H101_8 | 0.9700 |
C1_4—C2_4 | 1.498 (6) | C10_8—H102_8 | 0.9700 |
C1_4—H11_4 | 0.9700 | N1_11—O8_11 | 1.203 (6) |
C1_4—H12_4 | 0.9700 | N1_11—O9_11 | 1.229 (5) |
C2_4—H21_4 | 0.9700 | N1_11—O10_11 | 1.231 (5) |
C2_4—H22_4 | 0.9700 | N2_12—O8_12 | 1.224 (5) |
C3_4—C4_4 | 1.500 (6) | N2_12—O10_12 | 1.231 (5) |
C3_4—H31_4 | 0.9700 | N2_12—O9_12 | 1.239 (5) |
C3_4—H32_4 | 0.9700 | N3_13—O8_13 | 1.215 (6) |
C4_4—H41_4 | 0.9700 | N3_13—O9_13 | 1.226 (5) |
C4_4—H42_4 | 0.9700 | N3_13—O10_13 | 1.234 (5) |
C5_4—C6_4 | 1.492 (7) | N4_14—O8_14 | 1.215 (5) |
C5_4—H51_4 | 0.9700 | N4_14—O10_14 | 1.220 (5) |
C5_4—H52_4 | 0.9700 | N4_14—O9_14 | 1.232 (5) |
C6_4—H61_4 | 0.9700 | N5_15—O10_15 | 1.225 (5) |
C6_4—H62_4 | 0.9700 | N5_15—O8_15 | 1.226 (5) |
C7_4—C8_4 | 1.499 (6) | N5_15—O9_15 | 1.232 (5) |
C7_4—H71_4 | 0.9700 | N6_16—O8_16 | 1.208 (6) |
C7_4—H72_4 | 0.9700 | N6_16—O9_16 | 1.220 (5) |
C8_4—H81_4 | 0.9700 | N6_16—O10_16 | 1.228 (5) |
C8_4—H82_4 | 0.9700 | N7_17—O10_17 | 1.207 (5) |
C9_4—C10_4 | 1.494 (6) | N7_17—O8_17 | 1.228 (5) |
C9_4—H91_4 | 0.9700 | N7_17—O9_17 | 1.243 (5) |
C9_4—H92_4 | 0.9700 | N8_18—O9_18 | 1.231 (5) |
C10_4—H101_4 | 0.9700 | N8_18—O8_18 | 1.231 (5) |
C10_4—H102_4 | 0.9700 | N8_18—O10_18 | 1.235 (5) |
O6_5—Mg5_5 | 2.016 (4) | N9_19—O10_19 | 1.207 (5) |
O6_5—H1W_5 | 0.813 (9) | N9_19—O8_19 | 1.226 (5) |
O6_5—H2W_5 | 0.817 (9) | N9_19—O9_19 | 1.244 (5) |
O7_5—Mg5_5 | 2.044 (4) | N10_20—O8_20 | 1.214 (6) |
O7_5—H3W_5 | 0.816 (9) | N10_20—O10_20 | 1.222 (5) |
O7_5—H4W_5 | 0.814 (9) | N10_20—O9_20 | 1.234 (5) |
Mg5_5—O5_5 | 2.124 (4) | N11_21—O10_21 | 1.209 (5) |
Mg5_5—O2_5 | 2.166 (4) | N11_21—O8_21 | 1.221 (5) |
Mg5_5—O3_5 | 2.193 (4) | N11_21—O9_21 | 1.231 (5) |
Mg5_5—O4_5 | 2.212 (4) | N12_22—O10_22 | 1.223 (5) |
Mg5_5—O1_5 | 2.239 (4) | N12_22—O8_22 | 1.230 (5) |
O1_5—C1_5 | 1.431 (6) | N12_22—O9_22 | 1.250 (5) |
O1_5—C10_5 | 1.432 (5) | N13_23—O8_23 | 1.217 (6) |
O2_5—C2_5 | 1.441 (5) | N13_23—O10_23 | 1.219 (5) |
O2_5—C3_5 | 1.444 (5) | N13_23—O9_23 | 1.234 (5) |
O3_5—C4_5 | 1.420 (6) | N14_24—O10_24 | 1.214 (5) |
O3_5—C5_5 | 1.429 (5) | N14_24—O9_24 | 1.228 (5) |
O4_5—C7_5 | 1.414 (6) | N14_24—O8_24 | 1.229 (6) |
O4_5—C6_5 | 1.432 (5) | N15_25—O8_25 | 1.212 (6) |
O5_5—C8_5 | 1.414 (5) | N15_25—O10_25 | 1.225 (5) |
O5_5—C9_5 | 1.419 (5) | N15_25—O9_25 | 1.236 (5) |
C1_5—C2_5 | 1.506 (6) | N16_26—O8_26 | 1.215 (6) |
C1_5—H11_5 | 0.9700 | N16_26—O10_26 | 1.224 (5) |
C1_5—H12_5 | 0.9700 | N16_26—O9_26 | 1.226 (5) |
C2_5—H21_5 | 0.9700 | ||
Mg1_1—O6_1—H1W_1 | 114 (4) | C1_5—O1_5—Mg5_5 | 111.8 (3) |
Mg1_1—O6_1—H2W_1 | 136 (4) | C10_5—O1_5—Mg5_5 | 111.9 (3) |
H1W_1—O6_1—H2W_1 | 109 (2) | C2_5—O2_5—C3_5 | 115.2 (4) |
Mg1_1—O7_1—H3W_1 | 126 (4) | C2_5—O2_5—Mg5_5 | 117.8 (3) |
Mg1_1—O7_1—H4W_1 | 119 (4) | C3_5—O2_5—Mg5_5 | 115.3 (3) |
H3W_1—O7_1—H4W_1 | 110 (2) | C4_5—O3_5—C5_5 | 115.0 (4) |
O7_1—Mg1_1—O6_1 | 178.0 (2) | C4_5—O3_5—Mg5_5 | 116.2 (3) |
O7_1—Mg1_1—O5_1 | 89.24 (17) | C5_5—O3_5—Mg5_5 | 112.8 (3) |
O6_1—Mg1_1—O5_1 | 89.29 (18) | C7_5—O4_5—C6_5 | 115.3 (4) |
O7_1—Mg1_1—O2_1 | 85.62 (18) | C7_5—O4_5—Mg5_5 | 113.4 (3) |
O6_1—Mg1_1—O2_1 | 96.37 (18) | C6_5—O4_5—Mg5_5 | 114.2 (3) |
O5_1—Mg1_1—O2_1 | 144.12 (16) | C8_5—O5_5—C9_5 | 116.7 (4) |
O7_1—Mg1_1—O3_1 | 94.12 (18) | C8_5—O5_5—Mg5_5 | 122.2 (3) |
O6_1—Mg1_1—O3_1 | 86.25 (17) | C9_5—O5_5—Mg5_5 | 121.0 (3) |
O5_1—Mg1_1—O3_1 | 143.35 (16) | O1_5—C1_5—C2_5 | 107.2 (5) |
O2_1—Mg1_1—O3_1 | 72.51 (15) | O1_5—C1_5—H11_5 | 110.3 |
O7_1—Mg1_1—O4_1 | 86.95 (19) | C2_5—C1_5—H11_5 | 110.3 |
O6_1—Mg1_1—O4_1 | 91.3 (2) | O1_5—C1_5—H12_5 | 110.3 |
O5_1—Mg1_1—O4_1 | 71.09 (14) | C2_5—C1_5—H12_5 | 110.3 |
O2_1—Mg1_1—O4_1 | 143.69 (16) | H11_5—C1_5—H12_5 | 108.5 |
O3_1—Mg1_1—O4_1 | 72.66 (14) | O2_5—C2_5—C1_5 | 103.2 (4) |
O7_1—Mg1_1—O1_1 | 90.69 (18) | O2_5—C2_5—H21_5 | 111.1 |
O6_1—Mg1_1—O1_1 | 90.15 (18) | C1_5—C2_5—H21_5 | 111.1 |
O5_1—Mg1_1—O1_1 | 71.84 (14) | O2_5—C2_5—H22_5 | 111.1 |
O2_1—Mg1_1—O1_1 | 72.74 (14) | C1_5—C2_5—H22_5 | 111.1 |
O3_1—Mg1_1—O1_1 | 144.41 (16) | H21_5—C2_5—H22_5 | 109.1 |
O4_1—Mg1_1—O1_1 | 142.88 (15) | O2_5—C3_5—C4_5 | 106.9 (4) |
C1_1—O1_1—C10_1 | 114.7 (4) | O2_5—C3_5—H31_5 | 110.3 |
C1_1—O1_1—Mg1_1 | 114.3 (3) | C4_5—C3_5—H31_5 | 110.3 |
C10_1—O1_1—Mg1_1 | 112.9 (3) | O2_5—C3_5—H32_5 | 110.3 |
C2_1—O2_1—C3_1 | 114.8 (4) | C4_5—C3_5—H32_5 | 110.3 |
C2_1—O2_1—Mg1_1 | 116.2 (3) | H31_5—C3_5—H32_5 | 108.6 |
C3_1—O2_1—Mg1_1 | 116.3 (3) | O3_5—C4_5—C3_5 | 105.4 (4) |
C5_1—O3_1—C4_1 | 113.8 (4) | O3_5—C4_5—H41_5 | 110.7 |
C5_1—O3_1—Mg1_1 | 115.3 (3) | C3_5—C4_5—H41_5 | 110.7 |
C4_1—O3_1—Mg1_1 | 114.6 (3) | O3_5—C4_5—H42_5 | 110.7 |
C7_1—O4_1—C6_1 | 114.0 (4) | C3_5—C4_5—H42_5 | 110.7 |
C7_1—O4_1—Mg1_1 | 113.5 (3) | H41_5—C4_5—H42_5 | 108.8 |
C6_1—O4_1—Mg1_1 | 114.6 (3) | O3_5—C5_5—C6_5 | 106.8 (5) |
C8_1—O5_1—C9_1 | 116.4 (4) | O3_5—C5_5—H51_5 | 110.4 |
C8_1—O5_1—Mg1_1 | 122.5 (3) | C6_5—C5_5—H51_5 | 110.4 |
C9_1—O5_1—Mg1_1 | 120.9 (3) | O3_5—C5_5—H52_5 | 110.4 |
O1_1—C1_1—C2_1 | 106.8 (5) | C6_5—C5_5—H52_5 | 110.4 |
O1_1—C1_1—H11_1 | 110.4 | H51_5—C5_5—H52_5 | 108.6 |
C2_1—C1_1—H11_1 | 110.4 | O4_5—C6_5—C5_5 | 105.6 (5) |
O1_1—C1_1—H12_1 | 110.4 | O4_5—C6_5—H61_5 | 110.6 |
C2_1—C1_1—H12_1 | 110.4 | C5_5—C6_5—H61_5 | 110.6 |
H11_1—C1_1—H12_1 | 108.6 | O4_5—C6_5—H62_5 | 110.6 |
O2_1—C2_1—C1_1 | 107.0 (4) | C5_5—C6_5—H62_5 | 110.6 |
O2_1—C2_1—H21_1 | 110.3 | H61_5—C6_5—H62_5 | 108.7 |
C1_1—C2_1—H21_1 | 110.3 | O4_5—C7_5—C8_5 | 108.4 (5) |
O2_1—C2_1—H22_1 | 110.3 | O4_5—C7_5—H71_5 | 110.0 |
C1_1—C2_1—H22_1 | 110.3 | C8_5—C7_5—H71_5 | 110.0 |
H21_1—C2_1—H22_1 | 108.6 | O4_5—C7_5—H72_5 | 110.0 |
O2_1—C3_1—C4_1 | 104.1 (4) | C8_5—C7_5—H72_5 | 110.0 |
O2_1—C3_1—H31_1 | 110.9 | H71_5—C7_5—H72_5 | 108.4 |
C4_1—C3_1—H31_1 | 110.9 | O5_5—C8_5—C7_5 | 107.3 (4) |
O2_1—C3_1—H32_1 | 110.9 | O5_5—C8_5—H81_5 | 110.3 |
C4_1—C3_1—H32_1 | 110.9 | C7_5—C8_5—H81_5 | 110.3 |
H31_1—C3_1—H32_1 | 109.0 | O5_5—C8_5—H82_5 | 110.3 |
O3_1—C4_1—C3_1 | 106.3 (4) | C7_5—C8_5—H82_5 | 110.3 |
O3_1—C4_1—H41_1 | 110.5 | H81_5—C8_5—H82_5 | 108.5 |
C3_1—C4_1—H41_1 | 110.5 | O5_5—C9_5—C10_5 | 106.4 (4) |
O3_1—C4_1—H42_1 | 110.5 | O5_5—C9_5—H91_5 | 110.5 |
C3_1—C4_1—H42_1 | 110.5 | C10_5—C9_5—H91_5 | 110.5 |
H41_1—C4_1—H42_1 | 108.7 | O5_5—C9_5—H92_5 | 110.5 |
O3_1—C5_1—C6_1 | 105.4 (5) | C10_5—C9_5—H92_5 | 110.5 |
O3_1—C5_1—H51_1 | 110.7 | H91_5—C9_5—H92_5 | 108.6 |
C6_1—C5_1—H51_1 | 110.7 | O1_5—C10_5—C9_5 | 104.4 (4) |
O3_1—C5_1—H52_1 | 110.7 | O1_5—C10_5—H101_5 | 110.9 |
C6_1—C5_1—H52_1 | 110.7 | C9_5—C10_5—H101_5 | 110.9 |
H51_1—C5_1—H52_1 | 108.8 | O1_5—C10_5—H102_5 | 110.9 |
O4_1—C6_1—C5_1 | 107.0 (5) | C9_5—C10_5—H102_5 | 110.9 |
O4_1—C6_1—H61_1 | 110.3 | H101_5—C10_5—H102_5 | 108.9 |
C5_1—C6_1—H61_1 | 110.3 | Mg6_6—O6_6—H1W_6 | 121 (4) |
O4_1—C6_1—H62_1 | 110.3 | Mg6_6—O6_6—H2W_6 | 127 (4) |
C5_1—C6_1—H62_1 | 110.3 | H1W_6—O6_6—H2W_6 | 105 (2) |
H61_1—C6_1—H62_1 | 108.6 | Mg6_6—O7_6—H3W_6 | 120 (4) |
O4_1—C7_1—C8_1 | 106.6 (5) | Mg6_6—O7_6—H4W_6 | 131 (4) |
O4_1—C7_1—H71_1 | 110.4 | H3W_6—O7_6—H4W_6 | 106 (2) |
C8_1—C7_1—H71_1 | 110.4 | O7_6—Mg6_6—O6_6 | 178.3 (2) |
O4_1—C7_1—H72_1 | 110.4 | O7_6—Mg6_6—O5_6 | 89.67 (17) |
C8_1—C7_1—H72_1 | 110.4 | O6_6—Mg6_6—O5_6 | 89.14 (18) |
H71_1—C7_1—H72_1 | 108.6 | O7_6—Mg6_6—O2_6 | 84.91 (19) |
O5_1—C8_1—C7_1 | 107.1 (4) | O6_6—Mg6_6—O2_6 | 96.78 (18) |
O5_1—C8_1—H81_1 | 110.3 | O5_6—Mg6_6—O2_6 | 144.35 (17) |
C7_1—C8_1—H81_1 | 110.3 | O7_6—Mg6_6—O3_6 | 93.86 (19) |
O5_1—C8_1—H82_1 | 110.3 | O6_6—Mg6_6—O3_6 | 86.35 (17) |
C7_1—C8_1—H82_1 | 110.3 | O5_6—Mg6_6—O3_6 | 143.38 (17) |
H81_1—C8_1—H82_1 | 108.6 | O2_6—Mg6_6—O3_6 | 72.24 (14) |
O5_1—C9_1—C10_1 | 106.3 (4) | O7_6—Mg6_6—O1_6 | 90.71 (19) |
O5_1—C9_1—H91_1 | 110.5 | O6_6—Mg6_6—O1_6 | 90.12 (18) |
C10_1—C9_1—H91_1 | 110.5 | O5_6—Mg6_6—O1_6 | 72.23 (14) |
O5_1—C9_1—H92_1 | 110.5 | O2_6—Mg6_6—O1_6 | 72.64 (15) |
C10_1—C9_1—H92_1 | 110.5 | O3_6—Mg6_6—O1_6 | 143.99 (16) |
H91_1—C9_1—H92_1 | 108.7 | O7_6—Mg6_6—O4_6 | 87.26 (19) |
O1_1—C10_1—C9_1 | 106.5 (4) | O6_6—Mg6_6—O4_6 | 91.2 (2) |
O1_1—C10_1—H101_1 | 110.4 | O5_6—Mg6_6—O4_6 | 71.42 (15) |
C9_1—C10_1—H101_1 | 110.4 | O2_6—Mg6_6—O4_6 | 143.06 (16) |
O1_1—C10_1—H102_1 | 110.4 | O3_6—Mg6_6—O4_6 | 72.36 (14) |
C9_1—C10_1—H102_1 | 110.4 | O1_6—Mg6_6—O4_6 | 143.60 (15) |
H101_1—C10_1—H102_1 | 108.6 | C1_6—O1_6—C10_6 | 114.4 (4) |
Mg2_2—O6_2—H1W_2 | 126 (4) | C1_6—O1_6—Mg6_6 | 115.1 (3) |
Mg2_2—O6_2—H2W_2 | 127 (4) | C10_6—O1_6—Mg6_6 | 112.6 (3) |
H1W_2—O6_2—H2W_2 | 106 (2) | C3_6—O2_6—C2_6 | 115.4 (4) |
Mg2_2—O7_2—H3W_2 | 131 (4) | C3_6—O2_6—Mg6_6 | 116.9 (3) |
Mg2_2—O7_2—H4W_2 | 115 (4) | C2_6—O2_6—Mg6_6 | 115.8 (3) |
H3W_2—O7_2—H4W_2 | 112 (2) | C5_6—O3_6—C4_6 | 113.6 (4) |
O6_2—Mg2_2—O7_2 | 179.0 (2) | C5_6—O3_6—Mg6_6 | 115.4 (3) |
O6_2—Mg2_2—O5_2 | 89.37 (18) | C4_6—O3_6—Mg6_6 | 114.7 (3) |
O7_2—Mg2_2—O5_2 | 90.45 (17) | C6_6—O4_6—C7_6 | 115.8 (4) |
O6_2—Mg2_2—O2_2 | 94.80 (18) | C6_6—O4_6—Mg6_6 | 114.2 (3) |
O7_2—Mg2_2—O2_2 | 84.79 (19) | C7_6—O4_6—Mg6_6 | 112.2 (3) |
O5_2—Mg2_2—O2_2 | 143.31 (17) | C9_6—O5_6—C8_6 | 116.3 (4) |
O6_2—Mg2_2—O3_2 | 86.04 (18) | C9_6—O5_6—Mg6_6 | 121.2 (3) |
O7_2—Mg2_2—O3_2 | 94.65 (18) | C8_6—O5_6—Mg6_6 | 122.2 (3) |
O5_2—Mg2_2—O3_2 | 144.28 (16) | O1_6—C1_6—C2_6 | 105.0 (5) |
O2_2—Mg2_2—O3_2 | 72.41 (15) | O1_6—C1_6—H11_6 | 110.7 |
O6_2—Mg2_2—O4_2 | 91.1 (2) | C2_6—C1_6—H11_6 | 110.7 |
O7_2—Mg2_2—O4_2 | 89.74 (19) | O1_6—C1_6—H12_6 | 110.7 |
O5_2—Mg2_2—O4_2 | 71.56 (15) | C2_6—C1_6—H12_6 | 110.7 |
O2_2—Mg2_2—O4_2 | 144.50 (16) | H11_6—C1_6—H12_6 | 108.8 |
O3_2—Mg2_2—O4_2 | 73.14 (14) | O2_6—C2_6—C1_6 | 108.0 (4) |
O6_2—Mg2_2—O1_2 | 88.07 (18) | O2_6—C2_6—H21_6 | 110.1 |
O7_2—Mg2_2—O1_2 | 90.99 (19) | C1_6—C2_6—H21_6 | 110.1 |
O5_2—Mg2_2—O1_2 | 71.27 (14) | O2_6—C2_6—H22_6 | 110.1 |
O2_2—Mg2_2—O1_2 | 72.46 (15) | C1_6—C2_6—H22_6 | 110.1 |
O3_2—Mg2_2—O1_2 | 143.71 (15) | H21_6—C2_6—H22_6 | 108.4 |
O4_2—Mg2_2—O1_2 | 142.83 (16) | O2_6—C3_6—C4_6 | 105.0 (4) |
C1_2—O1_2—C10_2 | 112.3 (4) | O2_6—C3_6—H31_6 | 110.7 |
C1_2—O1_2—Mg2_2 | 112.4 (3) | C4_6—C3_6—H31_6 | 110.7 |
C10_2—O1_2—Mg2_2 | 111.9 (3) | O2_6—C3_6—H32_6 | 110.7 |
C3_2—O2_2—C2_2 | 115.3 (4) | C4_6—C3_6—H32_6 | 110.7 |
C3_2—O2_2—Mg2_2 | 115.9 (3) | H31_6—C3_6—H32_6 | 108.8 |
C2_2—O2_2—Mg2_2 | 117.3 (3) | O3_6—C4_6—C3_6 | 106.6 (4) |
C4_2—O3_2—C5_2 | 115.7 (4) | O3_6—C4_6—H41_6 | 110.4 |
C4_2—O3_2—Mg2_2 | 116.3 (3) | C3_6—C4_6—H41_6 | 110.4 |
C5_2—O3_2—Mg2_2 | 113.9 (3) | O3_6—C4_6—H42_6 | 110.4 |
C7_2—O4_2—C6_2 | 115.2 (4) | C3_6—C4_6—H42_6 | 110.4 |
C7_2—O4_2—Mg2_2 | 112.1 (3) | H41_6—C4_6—H42_6 | 108.6 |
C6_2—O4_2—Mg2_2 | 114.1 (3) | O3_6—C5_6—C6_6 | 105.3 (5) |
C8_2—O5_2—C9_2 | 116.5 (4) | O3_6—C5_6—H51_6 | 110.7 |
C8_2—O5_2—Mg2_2 | 121.7 (3) | C6_6—C5_6—H51_6 | 110.7 |
C9_2—O5_2—Mg2_2 | 121.8 (3) | O3_6—C5_6—H52_6 | 110.7 |
O1_2—C1_2—C2_2 | 105.8 (5) | C6_6—C5_6—H52_6 | 110.7 |
O1_2—C1_2—H11_2 | 110.6 | H51_6—C5_6—H52_6 | 108.8 |
C2_2—C1_2—H11_2 | 110.6 | O4_6—C6_6—C5_6 | 108.3 (5) |
O1_2—C1_2—H12_2 | 110.6 | O4_6—C6_6—H61_6 | 110.0 |
C2_2—C1_2—H12_2 | 110.6 | C5_6—C6_6—H61_6 | 110.0 |
H11_2—C1_2—H12_2 | 108.7 | O4_6—C6_6—H62_6 | 110.0 |
O2_2—C2_2—C1_2 | 104.6 (4) | C5_6—C6_6—H62_6 | 110.0 |
O2_2—C2_2—H21_2 | 110.8 | H61_6—C6_6—H62_6 | 108.4 |
C1_2—C2_2—H21_2 | 110.8 | O4_6—C7_6—C8_6 | 107.6 (5) |
O2_2—C2_2—H22_2 | 110.8 | O4_6—C7_6—H71_6 | 110.2 |
C1_2—C2_2—H22_2 | 110.8 | C8_6—C7_6—H71_6 | 110.2 |
H21_2—C2_2—H22_2 | 108.9 | O4_6—C7_6—H72_6 | 110.2 |
O2_2—C3_2—C4_2 | 107.3 (4) | C8_6—C7_6—H72_6 | 110.2 |
O2_2—C3_2—H31_2 | 110.3 | H71_6—C7_6—H72_6 | 108.5 |
C4_2—C3_2—H31_2 | 110.3 | O5_6—C8_6—C7_6 | 107.4 (4) |
O2_2—C3_2—H32_2 | 110.3 | O5_6—C8_6—H81_6 | 110.2 |
C4_2—C3_2—H32_2 | 110.3 | C7_6—C8_6—H81_6 | 110.2 |
H31_2—C3_2—H32_2 | 108.5 | O5_6—C8_6—H82_6 | 110.2 |
O3_2—C4_2—C3_2 | 105.5 (4) | C7_6—C8_6—H82_6 | 110.2 |
O3_2—C4_2—H41_2 | 110.6 | H81_6—C8_6—H82_6 | 108.5 |
C3_2—C4_2—H41_2 | 110.6 | O5_6—C9_6—C10_6 | 106.6 (4) |
O3_2—C4_2—H42_2 | 110.6 | O5_6—C9_6—H91_6 | 110.4 |
C3_2—C4_2—H42_2 | 110.6 | C10_6—C9_6—H91_6 | 110.4 |
H41_2—C4_2—H42_2 | 108.8 | O5_6—C9_6—H92_6 | 110.4 |
O3_2—C5_2—C6_2 | 107.0 (5) | C10_6—C9_6—H92_6 | 110.4 |
O3_2—C5_2—H51_2 | 110.3 | H91_6—C9_6—H92_6 | 108.6 |
C6_2—C5_2—H51_2 | 110.3 | O1_6—C10_6—C9_6 | 106.8 (4) |
O3_2—C5_2—H52_2 | 110.3 | O1_6—C10_6—H101_6 | 110.4 |
C6_2—C5_2—H52_2 | 110.3 | C9_6—C10_6—H101_6 | 110.4 |
H51_2—C5_2—H52_2 | 108.6 | O1_6—C10_6—H102_6 | 110.4 |
O4_2—C6_2—C5_2 | 105.6 (5) | C9_6—C10_6—H102_6 | 110.4 |
O4_2—C6_2—H61_2 | 110.6 | H101_6—C10_6—H102_6 | 108.6 |
C5_2—C6_2—H61_2 | 110.6 | Mg7_7—O6_7—Mg10_10 | 4.15 (13) |
O4_2—C6_2—H62_2 | 110.6 | Mg7_7—O6_7—H1W_7 | 122 (3) |
C5_2—C6_2—H62_2 | 110.6 | Mg10_10—O6_7—H1W_7 | 118 (3) |
H61_2—C6_2—H62_2 | 108.8 | Mg7_7—O6_7—H2W_7 | 127 (3) |
O4_2—C7_2—C8_2 | 108.5 (5) | Mg10_10—O6_7—H2W_7 | 131 (3) |
O4_2—C7_2—H71_2 | 110.0 | H1W_7—O6_7—H2W_7 | 107 (2) |
C8_2—C7_2—H71_2 | 110.0 | Mg10_10—O7_7—Mg7_7 | 4.28 (13) |
O4_2—C7_2—H72_2 | 110.0 | Mg10_10—O7_7—H3W_7 | 143 (3) |
C8_2—C7_2—H72_2 | 110.0 | Mg7_7—O7_7—H3W_7 | 138 (3) |
H71_2—C7_2—H72_2 | 108.4 | Mg10_10—O7_7—H4W_7 | 111 (3) |
O5_2—C8_2—C7_2 | 107.2 (4) | Mg7_7—O7_7—H4W_7 | 115 (3) |
O5_2—C8_2—H81_2 | 110.3 | H3W_7—O7_7—H4W_7 | 106 (2) |
C7_2—C8_2—H81_2 | 110.3 | O6_7—Mg7_7—O7_7 | 178.0 (3) |
O5_2—C8_2—H82_2 | 110.3 | O6_7—Mg7_7—O5_7 | 89.2 (2) |
C7_2—C8_2—H82_2 | 110.3 | O7_7—Mg7_7—O5_7 | 89.10 (19) |
H81_2—C8_2—H82_2 | 108.5 | O6_7—Mg7_7—O2_7 | 95.1 (2) |
O5_2—C9_2—C10_2 | 106.4 (4) | O7_7—Mg7_7—O2_7 | 85.6 (2) |
O5_2—C9_2—H91_2 | 110.4 | O5_7—Mg7_7—O2_7 | 143.4 (2) |
C10_2—C9_2—H91_2 | 110.4 | O6_7—Mg7_7—O3_7 | 86.7 (2) |
O5_2—C9_2—H92_2 | 110.4 | O7_7—Mg7_7—O3_7 | 95.2 (2) |
C10_2—C9_2—H92_2 | 110.4 | O5_7—Mg7_7—O3_7 | 143.9 (2) |
H91_2—C9_2—H92_2 | 108.6 | O2_7—Mg7_7—O3_7 | 72.72 (18) |
O1_2—C10_2—C9_2 | 105.0 (4) | O6_7—Mg7_7—O4_7 | 90.9 (2) |
O1_2—C10_2—H101_2 | 110.8 | O7_7—Mg7_7—O4_7 | 89.5 (2) |
C9_2—C10_2—H101_2 | 110.8 | O5_7—Mg7_7—O4_7 | 71.09 (18) |
O1_2—C10_2—H102_2 | 110.7 | O2_7—Mg7_7—O4_7 | 144.9 (2) |
C9_2—C10_2—H102_2 | 110.7 | O3_7—Mg7_7—O4_7 | 73.11 (18) |
H101_2—C10_2—H102_2 | 108.8 | O6_7—Mg7_7—O1_7 | 87.0 (2) |
Mg3_3—O6_3—Mg9_9 | 4.71 (12) | O7_7—Mg7_7—O1_7 | 91.4 (2) |
Mg3_3—O6_3—H1W_3 | 132 (3) | O5_7—Mg7_7—O1_7 | 71.29 (18) |
Mg9_9—O6_3—H1W_3 | 127 (3) | O2_7—Mg7_7—O1_7 | 72.65 (18) |
Mg3_3—O6_3—H2W_3 | 118 (4) | O3_7—Mg7_7—O1_7 | 144.1 (2) |
Mg9_9—O6_3—H2W_3 | 123 (4) | O4_7—Mg7_7—O1_7 | 142.4 (2) |
H1W_3—O6_3—H2W_3 | 110 (2) | C1_7—O1_7—C10_7 | 112.8 (5) |
Mg9_9—O7_3—Mg3_3 | 5.09 (13) | C1_7—O1_7—Mg7_7 | 112.6 (4) |
Mg9_9—O7_3—H3W_3 | 130 (4) | C10_7—O1_7—Mg7_7 | 113.1 (4) |
Mg3_3—O7_3—H3W_3 | 125 (4) | C2_7—O2_7—C3_7 | 114.7 (4) |
Mg9_9—O7_3—H4W_3 | 121 (4) | C2_7—O2_7—Mg7_7 | 117.2 (4) |
Mg3_3—O7_3—H4W_3 | 126 (4) | C3_7—O2_7—Mg7_7 | 116.0 (4) |
H3W_3—O7_3—H4W_3 | 106 (2) | C5_7—O3_7—C4_7 | 115.2 (5) |
O6_3—Mg3_3—O7_3 | 177.8 (3) | C5_7—O3_7—Mg7_7 | 116.1 (4) |
O6_3—Mg3_3—O5_3 | 89.5 (2) | C4_7—O3_7—Mg7_7 | 115.7 (4) |
O7_3—Mg3_3—O5_3 | 88.38 (19) | C7_7—O4_7—C6_7 | 113.8 (5) |
O6_3—Mg3_3—O2_3 | 97.7 (2) | C7_7—O4_7—Mg7_7 | 112.6 (4) |
O7_3—Mg3_3—O2_3 | 84.2 (2) | C6_7—O4_7—Mg7_7 | 113.4 (4) |
O5_3—Mg3_3—O2_3 | 143.4 (2) | C8_7—O5_7—C9_7 | 116.1 (5) |
O6_3—Mg3_3—O3_3 | 87.5 (2) | C8_7—O5_7—Mg7_7 | 122.6 (4) |
O7_3—Mg3_3—O3_3 | 94.1 (2) | C9_7—O5_7—Mg7_7 | 120.8 (4) |
O5_3—Mg3_3—O3_3 | 143.9 (2) | O1_7—C1_7—C2_7 | 106.4 (6) |
O2_3—Mg3_3—O3_3 | 72.49 (18) | O1_7—C1_7—H11_7 | 110.4 |
O6_3—Mg3_3—O1_3 | 89.4 (2) | C2_7—C1_7—H11_7 | 110.4 |
O7_3—Mg3_3—O1_3 | 90.2 (2) | O1_7—C1_7—H12_7 | 110.4 |
O5_3—Mg3_3—O1_3 | 71.57 (18) | C2_7—C1_7—H12_7 | 110.4 |
O2_3—Mg3_3—O1_3 | 72.70 (18) | H11_7—C1_7—H12_7 | 108.6 |
O3_3—Mg3_3—O1_3 | 144.3 (2) | H6A_10—C1_7—H6B_10 | 86.4 |
O6_3—Mg3_3—O4_3 | 91.4 (2) | O2_7—C2_7—C1_7 | 104.8 (5) |
O7_3—Mg3_3—O4_3 | 87.6 (2) | O2_7—C2_7—H21_7 | 110.8 |
O5_3—Mg3_3—O4_3 | 70.89 (18) | C1_7—C2_7—H21_7 | 110.8 |
O2_3—Mg3_3—O4_3 | 144.0 (2) | O2_7—C2_7—H22_7 | 110.8 |
O3_3—Mg3_3—O4_3 | 73.22 (18) | C1_7—C2_7—H22_7 | 110.8 |
O1_3—Mg3_3—O4_3 | 142.45 (19) | H21_7—C2_7—H22_7 | 108.9 |
C1_3—O1_3—C10_3 | 113.8 (5) | O2_7—C3_7—C4_7 | 105.6 (5) |
C1_3—O1_3—Mg3_3 | 114.2 (4) | O2_7—C3_7—H31_7 | 110.6 |
C10_3—O1_3—Mg3_3 | 113.6 (4) | C4_7—C3_7—H31_7 | 110.6 |
C2_3—O2_3—C3_3 | 113.8 (4) | O2_7—C3_7—H32_7 | 110.6 |
C2_3—O2_3—Mg3_3 | 116.6 (4) | C4_7—C3_7—H32_7 | 110.6 |
C3_3—O2_3—Mg3_3 | 116.9 (4) | H31_7—C3_7—H32_7 | 108.8 |
C5_3—O3_3—C4_3 | 114.5 (5) | H8A_10—C3_7—H8B_10 | 100.7 |
C5_3—O3_3—Mg3_3 | 114.5 (4) | O3_7—C4_7—C3_7 | 105.8 (5) |
C4_3—O3_3—Mg3_3 | 115.7 (4) | O3_7—C4_7—H41_7 | 110.6 |
C7_3—O4_3—C6_3 | 115.1 (5) | C3_7—C4_7—H41_7 | 110.6 |
C7_3—O4_3—Mg3_3 | 113.0 (4) | O3_7—C4_7—H42_7 | 110.6 |
C6_3—O4_3—Mg3_3 | 113.4 (4) | C3_7—C4_7—H42_7 | 110.6 |
C9_3—O5_3—C8_3 | 115.9 (5) | H41_7—C4_7—H42_7 | 108.7 |
C9_3—O5_3—Mg3_3 | 120.9 (4) | H9A_10—C4_7—H9B_10 | 104.2 |
C8_3—O5_3—Mg3_3 | 122.2 (4) | O3_7—C5_7—C6_7 | 107.3 (5) |
O1_3—C1_3—C2_3 | 105.7 (5) | O3_7—C5_7—H51_7 | 110.3 |
O1_3—C1_3—H11_3 | 110.6 | C6_7—C5_7—H51_7 | 110.3 |
C2_3—C1_3—H11_3 | 110.6 | O3_7—C5_7—H52_7 | 110.3 |
O1_3—C1_3—H12_3 | 110.6 | C6_7—C5_7—H52_7 | 110.3 |
C2_3—C1_3—H12_3 | 110.6 | H51_7—C5_7—H52_7 | 108.5 |
H11_3—C1_3—H12_3 | 108.7 | O4_7—C6_7—C5_7 | 105.7 (6) |
H6A_9—C1_3—H6B_9 | 86.6 | O4_7—C6_7—H61_7 | 110.6 |
O2_3—C2_3—C1_3 | 105.4 (5) | C5_7—C6_7—H61_7 | 110.6 |
O2_3—C2_3—H21_3 | 110.7 | O4_7—C6_7—H62_7 | 110.6 |
C1_3—C2_3—H21_3 | 110.7 | C5_7—C6_7—H62_7 | 110.6 |
O2_3—C2_3—H22_3 | 110.7 | H61_7—C6_7—H62_7 | 108.7 |
C1_3—C2_3—H22_3 | 110.7 | H1A_10—C6_7—H1B_10 | 90.7 |
H21_3—C2_3—H22_3 | 108.8 | O4_7—C7_7—C8_7 | 107.4 (5) |
O2_3—C3_3—C4_3 | 105.5 (5) | O4_7—C7_7—H71_7 | 110.2 |
O2_3—C3_3—H31_3 | 110.6 | C8_7—C7_7—H71_7 | 110.2 |
C4_3—C3_3—H31_3 | 110.6 | O4_7—C7_7—H72_7 | 110.2 |
O2_3—C3_3—H32_3 | 110.6 | C8_7—C7_7—H72_7 | 110.2 |
C4_3—C3_3—H32_3 | 110.6 | H71_7—C7_7—H72_7 | 108.5 |
H31_3—C3_3—H32_3 | 108.8 | O5_7—C8_7—C7_7 | 107.0 (5) |
H8A_9—C3_3—H8B_9 | 101.3 | O5_7—C8_7—H81_7 | 110.3 |
O3_3—C4_3—C3_3 | 107.2 (5) | C7_7—C8_7—H81_7 | 110.3 |
O3_3—C4_3—H41_3 | 110.3 | O5_7—C8_7—H82_7 | 110.3 |
C3_3—C4_3—H41_3 | 110.3 | C7_7—C8_7—H82_7 | 110.3 |
O3_3—C4_3—H42_3 | 110.3 | H81_7—C8_7—H82_7 | 108.6 |
C3_3—C4_3—H42_3 | 110.3 | H3A_10—C8_7—H3B_10 | 80.9 |
H41_3—C4_3—H42_3 | 108.5 | O5_7—C9_7—C10_7 | 106.9 (5) |
H9A_9—C4_3—H9B_9 | 106.7 | O5_7—C9_7—H91_7 | 110.3 |
O3_3—C5_3—C6_3 | 106.9 (5) | C10_7—C9_7—H91_7 | 110.3 |
O3_3—C5_3—H51_3 | 110.3 | O5_7—C9_7—H92_7 | 110.3 |
C6_3—C5_3—H51_3 | 110.3 | C10_7—C9_7—H92_7 | 110.3 |
O3_3—C5_3—H52_3 | 110.3 | H91_7—C9_7—H92_7 | 108.6 |
C6_3—C5_3—H52_3 | 110.3 | H4A_10—C9_7—H4B_10 | 86.2 |
H51_3—C5_3—H52_3 | 108.6 | O1_7—C10_7—C9_7 | 104.3 (5) |
O4_3—C6_3—C5_3 | 107.2 (6) | O1_7—C10_7—H101_7 | 110.9 |
O4_3—C6_3—H61_3 | 110.3 | C9_7—C10_7—H101_7 | 110.9 |
C5_3—C6_3—H61_3 | 110.3 | O1_7—C10_7—H102_7 | 110.9 |
O4_3—C6_3—H62_3 | 110.3 | C9_7—C10_7—H102_7 | 110.9 |
C5_3—C6_3—H62_3 | 110.3 | H101_7—C10_7—H102_7 | 108.9 |
H61_3—C6_3—H62_3 | 108.5 | O7_7—Mg10_10—O6_7 | 173.1 (3) |
H1A_9—C6_3—H1B_9 | 88.4 | O7_7—Mg10_10—O5_10 | 86.3 (2) |
O4_3—C7_3—C8_3 | 106.7 (5) | O6_7—Mg10_10—O5_10 | 86.9 (2) |
O4_3—C7_3—H71_3 | 110.4 | O7_7—Mg10_10—O2_10 | 98.9 (2) |
C8_3—C7_3—H71_3 | 110.4 | O6_7—Mg10_10—O2_10 | 87.3 (2) |
O4_3—C7_3—H72_3 | 110.4 | O5_10—Mg10_10—O2_10 | 143.6 |
C8_3—C7_3—H72_3 | 110.4 | O7_7—Mg10_10—O3_10 | 87.7 (2) |
H71_3—C7_3—H72_3 | 108.6 | O6_7—Mg10_10—O3_10 | 97.1 (2) |
O5_3—C8_3—C7_3 | 108.4 (5) | O5_10—Mg10_10—O3_10 | 143.8 |
O5_3—C8_3—H81_3 | 110.0 | O2_10—Mg10_10—O3_10 | 72.6 |
C7_3—C8_3—H81_3 | 110.0 | O7_7—Mg10_10—O4_10 | 89.5 (2) |
O5_3—C8_3—H82_3 | 110.0 | O6_7—Mg10_10—O4_10 | 87.1 (2) |
C7_3—C8_3—H82_3 | 110.0 | O5_10—Mg10_10—O4_10 | 71.4 |
H81_3—C8_3—H82_3 | 108.4 | O2_10—Mg10_10—O4_10 | 144.0 |
H3A_9—C8_3—H3B_9 | 75.5 | O3_10—Mg10_10—O4_10 | 72.9 |
O5_3—C9_3—C10_3 | 106.0 (5) | O7_7—Mg10_10—O1_10 | 89.2 (2) |
O5_3—C9_3—H91_3 | 110.5 | O6_7—Mg10_10—O1_10 | 89.8 (2) |
C10_3—C9_3—H91_3 | 110.5 | O5_10—Mg10_10—O1_10 | 71.2 |
O5_3—C9_3—H92_3 | 110.5 | O2_10—Mg10_10—O1_10 | 72.9 |
C10_3—C9_3—H92_3 | 110.5 | O3_10—Mg10_10—O1_10 | 144.4 |
H91_3—C9_3—H92_3 | 108.7 | O4_10—Mg10_10—O1_10 | 142.6 |
H4A_9—C9_3—H4B_9 | 86.4 | O7_7—Mg10_10—H4W_7 | 18.7 (7) |
O1_3—C10_3—C9_3 | 105.6 (5) | O6_7—Mg10_10—H4W_7 | 167.7 (7) |
O1_3—C10_3—H101_3 | 110.6 | O5_10—Mg10_10—H4W_7 | 104.9 (8) |
C9_3—C10_3—H101_3 | 110.6 | O2_10—Mg10_10—H4W_7 | 85.2 (11) |
O1_3—C10_3—H102_3 | 110.6 | O3_10—Mg10_10—H4W_7 | 71.4 (9) |
C9_3—C10_3—H102_3 | 110.6 | O4_10—Mg10_10—H4W_7 | 93.3 (13) |
H101_3—C10_3—H102_3 | 108.7 | O1_10—Mg10_10—H4W_7 | 97.2 (12) |
O7_3—Mg9_9—O5_9 | 85.4 (2) | C10_10—O1_10—C1_10 | 114.6 |
O7_3—Mg9_9—O6_3 | 172.3 (3) | C10_10—O1_10—Mg10_10 | 112.4 |
O5_9—Mg9_9—O6_3 | 87.1 (2) | C1_10—O1_10—Mg10_10 | 112.8 |
O7_3—Mg9_9—O2_9 | 97.9 (2) | C2_10—O2_10—C3_10 | 113.1 |
O5_9—Mg9_9—O2_9 | 144.0 | C2_10—O2_10—Mg10_10 | 117.8 |
O6_3—Mg9_9—O2_9 | 87.1 (2) | C3_10—O2_10—Mg10_10 | 116.8 |
O7_3—Mg9_9—O3_9 | 89.8 (2) | C4_10—O3_10—C5_10 | 114.4 |
O5_9—Mg9_9—O3_9 | 143.7 | C4_10—O3_10—Mg10_10 | 115.3 |
O6_3—Mg9_9—O3_9 | 97.3 (2) | C5_10—O3_10—Mg10_10 | 113.9 |
O2_9—Mg9_9—O3_9 | 72.3 | C7_10—O4_10—C6_10 | 113.3 |
O7_3—Mg9_9—O1_9 | 86.6 (2) | C7_10—O4_10—Mg10_10 | 113.3 |
O5_9—Mg9_9—O1_9 | 72.2 | C6_10—O4_10—Mg10_10 | 113.8 |
O6_3—Mg9_9—O1_9 | 89.4 (2) | C9_10—O5_10—C8_10 | 115.4 |
O2_9—Mg9_9—O1_9 | 72.2 | C9_10—O5_10—Mg10_10 | 122.1 |
O3_9—Mg9_9—O1_9 | 143.5 | C8_10—O5_10—Mg10_10 | 122.4 |
O7_3—Mg9_9—O4_9 | 90.8 (2) | O1_10—C1_10—C2_10 | 106.0 |
O5_9—Mg9_9—O4_9 | 71.7 | O1_10—C1_10—H1A_10 | 110.5 |
O6_3—Mg9_9—O4_9 | 88.5 (2) | C2_10—C1_10—H1A_10 | 110.6 |
O2_9—Mg9_9—O4_9 | 143.6 | O1_10—C1_10—H1B_10 | 110.5 |
O3_9—Mg9_9—O4_9 | 72.4 | C2_10—C1_10—H1B_10 | 110.5 |
O1_9—Mg9_9—O4_9 | 143.9 | H1A_10—C1_10—H1B_10 | 108.7 |
C1_9—O1_9—C10_9 | 112.7 | O2_10—C2_10—C1_10 | 105.6 |
C1_9—O1_9—Mg9_9 | 114.0 | O2_10—C2_10—H2A_10 | 110.6 |
C10_9—O1_9—Mg9_9 | 112.5 | C1_10—C2_10—H2A_10 | 110.6 |
C3_9—O2_9—C2_9 | 116.2 | O2_10—C2_10—H2B_10 | 110.6 |
C3_9—O2_9—Mg9_9 | 116.2 | C1_10—C2_10—H2B_10 | 110.6 |
C2_9—O2_9—Mg9_9 | 116.4 | H2A_10—C2_10—H2B_10 | 108.8 |
C5_9—O3_9—C4_9 | 114.1 | O2_10—C3_10—C4_10 | 105.7 |
C5_9—O3_9—Mg9_9 | 115.1 | O2_10—C3_10—H3A_10 | 110.6 |
C4_9—O3_9—Mg9_9 | 115.0 | C4_10—C3_10—H3A_10 | 110.6 |
C6_9—O4_9—C7_9 | 116.3 | O2_10—C3_10—H3B_10 | 110.6 |
C6_9—O4_9—Mg9_9 | 114.9 | C4_10—C3_10—H3B_10 | 110.6 |
C7_9—O4_9—Mg9_9 | 111.6 | H3A_10—C3_10—H3B_10 | 108.7 |
C9_9—O5_9—C8_9 | 117.4 | O3_10—C4_10—C3_10 | 105.7 |
C9_9—O5_9—Mg9_9 | 120.7 | O3_10—C4_10—H4A_10 | 110.6 |
C8_9—O5_9—Mg9_9 | 121.8 | C3_10—C4_10—H4A_10 | 110.6 |
O1_9—C1_9—C2_9 | 107.1 | O3_10—C4_10—H4B_10 | 110.6 |
O1_9—C1_9—H1A_9 | 110.3 | C3_10—C4_10—H4B_10 | 110.6 |
C2_9—C1_9—H1A_9 | 110.3 | H4A_10—C4_10—H4B_10 | 108.7 |
O1_9—C1_9—H1B_9 | 110.3 | O3_10—C5_10—C6_10 | 105.0 |
C2_9—C1_9—H1B_9 | 110.3 | O3_10—C5_10—H5A_10 | 110.7 |
H1A_9—C1_9—H1B_9 | 108.6 | C6_10—C5_10—H5A_10 | 110.7 |
O2_9—C2_9—C1_9 | 106.1 | O3_10—C5_10—H5B_10 | 110.7 |
O2_9—C2_9—H2A_9 | 110.5 | C6_10—C5_10—H5B_10 | 110.7 |
C1_9—C2_9—H2A_9 | 110.5 | H5A_10—C5_10—H5B_10 | 108.8 |
O2_9—C2_9—H2B_9 | 110.5 | O4_10—C6_10—C5_10 | 106.7 |
C1_9—C2_9—H2B_9 | 110.5 | O4_10—C6_10—H6A_10 | 110.4 |
H2A_9—C2_9—H2B_9 | 108.7 | C5_10—C6_10—H6A_10 | 110.4 |
O2_9—C3_9—C4_9 | 105.6 | O4_10—C6_10—H6B_10 | 110.4 |
O2_9—C3_9—H3A_9 | 110.6 | C5_10—C6_10—H6B_10 | 110.4 |
C4_9—C3_9—H3A_9 | 110.6 | H6A_10—C6_10—H6B_10 | 108.6 |
O2_9—C3_9—H3B_9 | 110.6 | O4_10—C7_10—C8_10 | 106.4 |
C4_9—C3_9—H3B_9 | 110.6 | O4_10—C7_10—H7A_10 | 110.5 |
H3A_9—C3_9—H3B_9 | 108.8 | C8_10—C7_10—H7A_10 | 110.4 |
O3_9—C4_9—C3_9 | 106.2 | O4_10—C7_10—H7B_10 | 110.5 |
O3_9—C4_9—H4A_9 | 110.5 | C8_10—C7_10—H7B_10 | 110.4 |
C3_9—C4_9—H4A_9 | 110.5 | H7A_10—C7_10—H7B_10 | 108.6 |
O3_9—C4_9—H4B_9 | 110.5 | O5_10—C8_10—C7_10 | 107.0 |
C3_9—C4_9—H4B_9 | 110.5 | O5_10—C8_10—H8A_10 | 110.3 |
H4A_9—C4_9—H4B_9 | 108.7 | C7_10—C8_10—H8A_10 | 110.3 |
O3_9—C5_9—C6_9 | 106.2 | O5_10—C8_10—H8B_10 | 110.3 |
O3_9—C5_9—H5A_9 | 110.5 | C7_10—C8_10—H8B_10 | 110.3 |
C6_9—C5_9—H5A_9 | 110.5 | H8A_10—C8_10—H8B_10 | 108.5 |
O3_9—C5_9—H5B_9 | 110.5 | O5_10—C9_10—C10_10 | 106.0 |
C6_9—C5_9—H5B_9 | 110.5 | O5_10—C9_10—H9A_10 | 110.5 |
H5A_9—C5_9—H5B_9 | 108.7 | C10_10—C9_10—H9A_10 | 110.5 |
O4_9—C6_9—C5_9 | 106.4 | O5_10—C9_10—H9B_10 | 110.5 |
O4_9—C6_9—H6A_9 | 110.4 | C10_10—C9_10—H9B_10 | 110.5 |
C5_9—C6_9—H6A_9 | 110.4 | H9A_10—C9_10—H9B_10 | 108.7 |
O4_9—C6_9—H6B_9 | 110.4 | O1_10—C10_10—C9_10 | 107.1 |
C5_9—C6_9—H6B_9 | 110.4 | O1_10—C10_10—H10A_10 | 110.3 |
H6A_9—C6_9—H6B_9 | 108.6 | C9_10—C10_10—H10A_10 | 110.3 |
O4_9—C7_9—C8_9 | 108.5 | O1_10—C10_10—H10B_10 | 110.3 |
O4_9—C7_9—H7A_9 | 110.0 | C9_10—C10_10—H10B_10 | 110.3 |
C8_9—C7_9—H7A_9 | 110.0 | H10A_10—C10_10—H10B_10 | 108.6 |
O4_9—C7_9—H7B_9 | 110.0 | Mg8_8—O6_8—H1W_8 | 122 (3) |
C8_9—C7_9—H7B_9 | 110.0 | Mg8_8—O6_8—H2W_8 | 132 (3) |
H7A_9—C7_9—H7B_9 | 108.3 | H1W_8—O6_8—H2W_8 | 106 (2) |
O5_9—C8_9—C7_9 | 107.2 | Mg8_8—O7_8—H3W_8 | 124 (4) |
O5_9—C8_9—H8A_9 | 110.3 | Mg8_8—O7_8—H4W_8 | 124 (4) |
C7_9—C8_9—H8A_9 | 110.3 | H3W_8—O7_8—H4W_8 | 107 (2) |
O5_9—C8_9—H8B_9 | 110.3 | O6_8—Mg8_8—O7_8 | 178.3 (2) |
C7_9—C8_9—H8B_9 | 110.3 | O6_8—Mg8_8—O5_8 | 88.36 (18) |
H8A_9—C8_9—H8B_9 | 108.5 | O7_8—Mg8_8—O5_8 | 90.09 (17) |
O5_9—C9_9—C10_9 | 107.2 | O6_8—Mg8_8—O2_8 | 95.62 (19) |
O5_9—C9_9—H9A_9 | 110.3 | O7_8—Mg8_8—O2_8 | 85.15 (19) |
C10_9—C9_9—H9A_9 | 110.3 | O5_8—Mg8_8—O2_8 | 143.38 (16) |
O5_9—C9_9—H9B_9 | 110.3 | O6_8—Mg8_8—O3_8 | 86.27 (17) |
C10_9—C9_9—H9B_9 | 110.3 | O7_8—Mg8_8—O3_8 | 95.46 (18) |
H9A_9—C9_9—H9B_9 | 108.6 | O5_8—Mg8_8—O3_8 | 144.44 (17) |
O1_9—C10_9—C9_9 | 104.7 | O2_8—Mg8_8—O3_8 | 72.17 (14) |
O1_9—C10_9—H10A_9 | 110.8 | O6_8—Mg8_8—O4_8 | 91.0 (2) |
C9_9—C10_9—H10A_9 | 110.8 | O7_8—Mg8_8—O4_8 | 89.3 (2) |
O1_9—C10_9—H10B_9 | 110.8 | O5_8—Mg8_8—O4_8 | 71.33 (15) |
C9_9—C10_9—H10B_9 | 110.8 | O2_8—Mg8_8—O4_8 | 144.62 (16) |
H10A_9—C10_9—H10B_9 | 108.9 | O3_8—Mg8_8—O4_8 | 73.65 (14) |
Mg4_4—O6_4—H1W_4 | 133 (3) | O6_8—Mg8_8—O1_8 | 87.64 (19) |
Mg4_4—O6_4—H2W_4 | 117 (3) | O7_8—Mg8_8—O1_8 | 91.11 (19) |
H1W_4—O6_4—H2W_4 | 108 (2) | O5_8—Mg8_8—O1_8 | 71.49 (14) |
Mg4_4—O7_4—H3W_4 | 123 (4) | O2_8—Mg8_8—O1_8 | 72.32 (14) |
Mg4_4—O7_4—H4W_4 | 124 (4) | O3_8—Mg8_8—O1_8 | 143.14 (15) |
H3W_4—O7_4—H4W_4 | 109 (2) | O4_8—Mg8_8—O1_8 | 142.82 (15) |
O7_4—Mg4_4—O6_4 | 177.9 (2) | C10_8—O1_8—C1_8 | 112.0 (4) |
O7_4—Mg4_4—O5_4 | 89.00 (17) | C10_8—O1_8—Mg8_8 | 112.7 (3) |
O6_4—Mg4_4—O5_4 | 89.64 (18) | C1_8—O1_8—Mg8_8 | 112.6 (3) |
O7_4—Mg4_4—O2_4 | 85.60 (18) | C2_8—O2_8—C3_8 | 114.8 (4) |
O6_4—Mg4_4—O2_4 | 96.45 (18) | C2_8—O2_8—Mg8_8 | 118.0 (3) |
O5_4—Mg4_4—O2_4 | 144.20 (17) | C3_8—O2_8—Mg8_8 | 116.1 (3) |
O7_4—Mg4_4—O3_4 | 94.69 (18) | C4_8—O3_8—C5_8 | 114.3 (4) |
O6_4—Mg4_4—O3_4 | 85.45 (18) | C4_8—O3_8—Mg8_8 | 115.8 (3) |
O5_4—Mg4_4—O3_4 | 143.53 (17) | C5_8—O3_8—Mg8_8 | 113.1 (3) |
O2_4—Mg4_4—O3_4 | 72.26 (14) | C7_8—O4_8—C6_8 | 113.9 (4) |
O7_4—Mg4_4—O1_4 | 91.0 (2) | C7_8—O4_8—Mg8_8 | 113.6 (3) |
O6_4—Mg4_4—O1_4 | 90.07 (18) | C6_8—O4_8—Mg8_8 | 114.0 (3) |
O5_4—Mg4_4—O1_4 | 72.18 (14) | C9_8—O5_8—C8_8 | 116.4 (4) |
O2_4—Mg4_4—O1_4 | 72.57 (14) | C9_8—O5_8—Mg8_8 | 121.3 (3) |
O3_4—Mg4_4—O1_4 | 143.76 (15) | C8_8—O5_8—Mg8_8 | 122.3 (3) |
O7_4—Mg4_4—O4_4 | 87.61 (19) | O1_8—C1_8—C2_8 | 106.7 (5) |
O6_4—Mg4_4—O4_4 | 90.4 (2) | O1_8—C1_8—H11_8 | 110.4 |
O5_4—Mg4_4—O4_4 | 71.82 (15) | C2_8—C1_8—H11_8 | 110.4 |
O2_4—Mg4_4—O4_4 | 142.97 (16) | O1_8—C1_8—H12_8 | 110.4 |
O3_4—Mg4_4—O4_4 | 72.10 (14) | C2_8—C1_8—H12_8 | 110.4 |
O1_4—Mg4_4—O4_4 | 143.99 (15) | H11_8—C1_8—H12_8 | 108.6 |
C10_4—O1_4—C1_4 | 113.8 (4) | O2_8—C2_8—C1_8 | 104.9 (4) |
C10_4—O1_4—Mg4_4 | 113.5 (3) | O2_8—C2_8—H21_8 | 110.8 |
C1_4—O1_4—Mg4_4 | 114.4 (3) | C1_8—C2_8—H21_8 | 110.8 |
C2_4—O2_4—C3_4 | 115.0 (4) | O2_8—C2_8—H22_8 | 110.8 |
C2_4—O2_4—Mg4_4 | 116.4 (3) | C1_8—C2_8—H22_8 | 110.8 |
C3_4—O2_4—Mg4_4 | 116.1 (3) | H21_8—C2_8—H22_8 | 108.9 |
C5_4—O3_4—C4_4 | 113.7 (4) | O2_8—C3_8—C4_8 | 106.2 (4) |
C5_4—O3_4—Mg4_4 | 116.4 (3) | O2_8—C3_8—H31_8 | 110.5 |
C4_4—O3_4—Mg4_4 | 115.4 (3) | C4_8—C3_8—H31_8 | 110.5 |
C6_4—O4_4—C7_4 | 114.2 (5) | O2_8—C3_8—H32_8 | 110.5 |
C6_4—O4_4—Mg4_4 | 115.2 (3) | C4_8—C3_8—H32_8 | 110.5 |
C7_4—O4_4—Mg4_4 | 112.4 (3) | H31_8—C3_8—H32_8 | 108.7 |
C9_4—O5_4—C8_4 | 115.9 (4) | O3_8—C4_8—C3_8 | 105.5 (4) |
C9_4—O5_4—Mg4_4 | 121.2 (3) | O3_8—C4_8—H41_8 | 110.6 |
C8_4—O5_4—Mg4_4 | 122.7 (3) | C3_8—C4_8—H41_8 | 110.6 |
O1_4—C1_4—C2_4 | 106.6 (5) | O3_8—C4_8—H42_8 | 110.6 |
O1_4—C1_4—H11_4 | 110.4 | C3_8—C4_8—H42_8 | 110.6 |
C2_4—C1_4—H11_4 | 110.4 | H41_8—C4_8—H42_8 | 108.8 |
O1_4—C1_4—H12_4 | 110.4 | O3_8—C5_8—C6_8 | 105.6 (5) |
C2_4—C1_4—H12_4 | 110.4 | O3_8—C5_8—H51_8 | 110.6 |
H11_4—C1_4—H12_4 | 108.6 | C6_8—C5_8—H51_8 | 110.6 |
O2_4—C2_4—C1_4 | 106.8 (4) | O3_8—C5_8—H52_8 | 110.6 |
O2_4—C2_4—H21_4 | 110.4 | C6_8—C5_8—H52_8 | 110.6 |
C1_4—C2_4—H21_4 | 110.4 | H51_8—C5_8—H52_8 | 108.8 |
O2_4—C2_4—H22_4 | 110.4 | O4_8—C6_8—C5_8 | 105.9 (5) |
C1_4—C2_4—H22_4 | 110.4 | O4_8—C6_8—H61_8 | 110.5 |
H21_4—C2_4—H22_4 | 108.6 | C5_8—C6_8—H61_8 | 110.5 |
O2_4—C3_4—C4_4 | 105.0 (4) | O4_8—C6_8—H62_8 | 110.5 |
O2_4—C3_4—H31_4 | 110.8 | C5_8—C6_8—H62_8 | 110.5 |
C4_4—C3_4—H31_4 | 110.8 | H61_8—C6_8—H62_8 | 108.7 |
O2_4—C3_4—H32_4 | 110.8 | O4_8—C7_8—C8_8 | 107.5 (5) |
C4_4—C3_4—H32_4 | 110.8 | O4_8—C7_8—H71_8 | 110.2 |
H31_4—C3_4—H32_4 | 108.8 | C8_8—C7_8—H71_8 | 110.2 |
O3_4—C4_4—C3_4 | 105.7 (4) | O4_8—C7_8—H72_8 | 110.2 |
O3_4—C4_4—H41_4 | 110.6 | C8_8—C7_8—H72_8 | 110.2 |
C3_4—C4_4—H41_4 | 110.6 | H71_8—C7_8—H72_8 | 108.5 |
O3_4—C4_4—H42_4 | 110.6 | O5_8—C8_8—C7_8 | 106.2 (4) |
C3_4—C4_4—H42_4 | 110.6 | O5_8—C8_8—H81_8 | 110.5 |
H41_4—C4_4—H42_4 | 108.7 | C7_8—C8_8—H81_8 | 110.5 |
O3_4—C5_4—C6_4 | 106.4 (5) | O5_8—C8_8—H82_8 | 110.5 |
O3_4—C5_4—H51_4 | 110.5 | C7_8—C8_8—H82_8 | 110.5 |
C6_4—C5_4—H51_4 | 110.5 | H81_8—C8_8—H82_8 | 108.7 |
O3_4—C5_4—H52_4 | 110.5 | O5_8—C9_8—C10_8 | 106.9 (4) |
C6_4—C5_4—H52_4 | 110.5 | O5_8—C9_8—H91_8 | 110.3 |
H51_4—C5_4—H52_4 | 108.6 | C10_8—C9_8—H91_8 | 110.3 |
O4_4—C6_4—C5_4 | 107.3 (5) | O5_8—C9_8—H92_8 | 110.3 |
O4_4—C6_4—H61_4 | 110.3 | C10_8—C9_8—H92_8 | 110.3 |
C5_4—C6_4—H61_4 | 110.3 | H91_8—C9_8—H92_8 | 108.6 |
O4_4—C6_4—H62_4 | 110.3 | O1_8—C10_8—C9_8 | 105.0 (4) |
C5_4—C6_4—H62_4 | 110.3 | O1_8—C10_8—H101_8 | 110.8 |
H61_4—C6_4—H62_4 | 108.5 | C9_8—C10_8—H101_8 | 110.8 |
O4_4—C7_4—C8_4 | 107.3 (5) | O1_8—C10_8—H102_8 | 110.8 |
O4_4—C7_4—H71_4 | 110.3 | C9_8—C10_8—H102_8 | 110.8 |
C8_4—C7_4—H71_4 | 110.3 | H101_8—C10_8—H102_8 | 108.8 |
O4_4—C7_4—H72_4 | 110.3 | O8_11—N1_11—O9_11 | 117.9 (5) |
C8_4—C7_4—H72_4 | 110.3 | O8_11—N1_11—O10_11 | 121.5 (6) |
H71_4—C7_4—H72_4 | 108.5 | O9_11—N1_11—O10_11 | 120.4 (5) |
O5_4—C8_4—C7_4 | 106.4 (4) | O8_12—N2_12—O10_12 | 123.4 (5) |
O5_4—C8_4—H81_4 | 110.5 | O8_12—N2_12—O9_12 | 117.9 (5) |
C7_4—C8_4—H81_4 | 110.5 | O10_12—N2_12—O9_12 | 118.6 (5) |
O5_4—C8_4—H82_4 | 110.5 | O8_13—N3_13—O9_13 | 117.1 (5) |
C7_4—C8_4—H82_4 | 110.5 | O8_13—N3_13—O10_13 | 123.5 (6) |
H81_4—C8_4—H82_4 | 108.6 | O9_13—N3_13—O10_13 | 119.1 (5) |
O5_4—C9_4—C10_4 | 106.6 (4) | O8_14—N4_14—O10_14 | 124.9 (6) |
O5_4—C9_4—H91_4 | 110.4 | O8_14—N4_14—O9_14 | 115.6 (5) |
C10_4—C9_4—H91_4 | 110.4 | O10_14—N4_14—O9_14 | 119.1 (5) |
O5_4—C9_4—H92_4 | 110.4 | O10_15—N5_15—O8_15 | 123.4 (5) |
C10_4—C9_4—H92_4 | 110.4 | O10_15—N5_15—O9_15 | 118.4 (5) |
H91_4—C9_4—H92_4 | 108.6 | O8_15—N5_15—O9_15 | 118.1 (5) |
O1_4—C10_4—C9_4 | 106.3 (4) | O8_16—N6_16—O9_16 | 116.2 (5) |
O1_4—C10_4—H101_4 | 110.5 | O8_16—N6_16—O10_16 | 123.0 (6) |
C9_4—C10_4—H101_4 | 110.5 | O9_16—N6_16—O10_16 | 120.5 (5) |
O1_4—C10_4—H102_4 | 110.5 | O10_17—N7_17—O8_17 | 124.6 (5) |
C9_4—C10_4—H102_4 | 110.5 | O10_17—N7_17—O9_17 | 119.2 (5) |
H101_4—C10_4—H102_4 | 108.7 | O8_17—N7_17—O9_17 | 116.0 (5) |
Mg5_5—O6_5—H1W_5 | 126 (4) | O9_18—N8_18—O8_18 | 116.6 (5) |
Mg5_5—O6_5—H2W_5 | 127 (4) | O9_18—N8_18—O10_18 | 118.6 (5) |
H1W_5—O6_5—H2W_5 | 107 (2) | O8_18—N8_18—O10_18 | 124.4 (6) |
Mg5_5—O7_5—H3W_5 | 122 (3) | O10_19—N9_19—O8_19 | 123.7 (5) |
Mg5_5—O7_5—H4W_5 | 124 (4) | O10_19—N9_19—O9_19 | 118.8 (5) |
H3W_5—O7_5—H4W_5 | 107 (2) | O8_19—N9_19—O9_19 | 117.5 (5) |
O6_5—Mg5_5—O7_5 | 178.4 (2) | O8_20—N10_20—O10_20 | 122.1 (6) |
O6_5—Mg5_5—O5_5 | 88.84 (18) | O8_20—N10_20—O9_20 | 118.7 (5) |
O7_5—Mg5_5—O5_5 | 90.33 (17) | O10_20—N10_20—O9_20 | 119.2 (5) |
O6_5—Mg5_5—O2_5 | 95.33 (18) | O10_21—N11_21—O8_21 | 121.5 (5) |
O7_5—Mg5_5—O2_5 | 84.55 (18) | O10_21—N11_21—O9_21 | 118.7 (5) |
O5_5—Mg5_5—O2_5 | 143.16 (16) | O8_21—N11_21—O9_21 | 119.9 (5) |
O6_5—Mg5_5—O3_5 | 86.63 (17) | O10_22—N12_22—O8_22 | 122.9 (6) |
O7_5—Mg5_5—O3_5 | 94.82 (18) | O10_22—N12_22—O9_22 | 118.9 (5) |
O5_5—Mg5_5—O3_5 | 144.18 (16) | O8_22—N12_22—O9_22 | 118.1 (5) |
O2_5—Mg5_5—O3_5 | 72.66 (15) | O8_23—N13_23—O10_23 | 123.8 (6) |
O6_5—Mg5_5—O4_5 | 91.5 (2) | O8_23—N13_23—O9_23 | 119.0 (5) |
O7_5—Mg5_5—O4_5 | 89.45 (18) | O10_23—N13_23—O9_23 | 117.2 (5) |
O5_5—Mg5_5—O4_5 | 71.16 (15) | O10_24—N14_24—O9_24 | 119.6 (5) |
O2_5—Mg5_5—O4_5 | 144.92 (15) | O10_24—N14_24—O8_24 | 121.1 (5) |
O3_5—Mg5_5—O4_5 | 73.47 (14) | O9_24—N14_24—O8_24 | 119.3 (5) |
O6_5—Mg5_5—O1_5 | 88.02 (18) | O8_25—N15_25—O10_25 | 120.2 (6) |
O7_5—Mg5_5—O1_5 | 90.46 (18) | O8_25—N15_25—O9_25 | 120.1 (5) |
O5_5—Mg5_5—O1_5 | 71.11 (14) | O10_25—N15_25—O9_25 | 119.7 (5) |
O2_5—Mg5_5—O1_5 | 72.47 (14) | O8_26—N16_26—O10_26 | 122.2 (6) |
O3_5—Mg5_5—O1_5 | 144.02 (16) | O8_26—N16_26—O9_26 | 120.3 (5) |
O4_5—Mg5_5—O1_5 | 142.27 (15) | O10_26—N16_26—O9_26 | 117.4 (5) |
C1_5—O1_5—C10_5 | 112.2 (4) | ||
O7_1—Mg1_1—O1_1—C1_1 | −69.0 (4) | O6_5—Mg5_5—O1_5—C1_5 | −115.3 (4) |
O6_1—Mg1_1—O1_1—C1_1 | 112.8 (4) | O7_5—Mg5_5—O1_5—C1_5 | 65.0 (4) |
O5_1—Mg1_1—O1_1—C1_1 | −158.0 (4) | O5_5—Mg5_5—O1_5—C1_5 | 155.2 (4) |
O2_1—Mg1_1—O1_1—C1_1 | 16.2 (4) | O2_5—Mg5_5—O1_5—C1_5 | −19.1 (4) |
O3_1—Mg1_1—O1_1—C1_1 | 29.1 (5) | O3_5—Mg5_5—O1_5—C1_5 | −33.8 (5) |
O4_1—Mg1_1—O1_1—C1_1 | −154.9 (4) | O4_5—Mg5_5—O1_5—C1_5 | 154.7 (4) |
O7_1—Mg1_1—O1_1—C10_1 | 64.5 (4) | O6_5—Mg5_5—O1_5—C10_5 | 117.9 (4) |
O6_1—Mg1_1—O1_1—C10_1 | −113.7 (4) | O7_5—Mg5_5—O1_5—C10_5 | −61.8 (4) |
O5_1—Mg1_1—O1_1—C10_1 | −24.4 (3) | O5_5—Mg5_5—O1_5—C10_5 | 28.4 (3) |
O2_1—Mg1_1—O1_1—C10_1 | 149.7 (4) | O2_5—Mg5_5—O1_5—C10_5 | −145.9 (4) |
O3_1—Mg1_1—O1_1—C10_1 | 162.6 (4) | O3_5—Mg5_5—O1_5—C10_5 | −160.7 (4) |
O4_1—Mg1_1—O1_1—C10_1 | −21.3 (5) | O4_5—Mg5_5—O1_5—C10_5 | 27.9 (5) |
O7_1—Mg1_1—O2_1—C2_1 | 106.6 (4) | O6_5—Mg5_5—O2_5—C2_5 | 72.0 (4) |
O6_1—Mg1_1—O2_1—C2_1 | −73.7 (4) | O7_5—Mg5_5—O2_5—C2_5 | −106.4 (4) |
O5_1—Mg1_1—O2_1—C2_1 | 24.0 (5) | O5_5—Mg5_5—O2_5—C2_5 | −23.2 (5) |
O3_1—Mg1_1—O2_1—C2_1 | −157.7 (4) | O3_5—Mg5_5—O2_5—C2_5 | 156.8 (4) |
O4_1—Mg1_1—O2_1—C2_1 | −174.6 (4) | O4_5—Mg5_5—O2_5—C2_5 | 172.4 (4) |
O1_1—Mg1_1—O2_1—C2_1 | 14.5 (4) | O1_5—Mg5_5—O2_5—C2_5 | −14.2 (4) |
O7_1—Mg1_1—O2_1—C3_1 | −113.5 (4) | O6_5—Mg5_5—O2_5—C3_5 | −69.3 (4) |
O6_1—Mg1_1—O2_1—C3_1 | 66.2 (4) | O7_5—Mg5_5—O2_5—C3_5 | 112.3 (4) |
O5_1—Mg1_1—O2_1—C3_1 | 163.9 (4) | O5_5—Mg5_5—O2_5—C3_5 | −164.5 (4) |
O3_1—Mg1_1—O2_1—C3_1 | −17.8 (4) | O3_5—Mg5_5—O2_5—C3_5 | 15.5 (4) |
O4_1—Mg1_1—O2_1—C3_1 | −34.7 (5) | O4_5—Mg5_5—O2_5—C3_5 | 31.0 (5) |
O1_1—Mg1_1—O2_1—C3_1 | 154.4 (4) | O1_5—Mg5_5—O2_5—C3_5 | −155.5 (4) |
O7_1—Mg1_1—O3_1—C5_1 | −66.1 (4) | O6_5—Mg5_5—O3_5—C4_5 | 112.3 (4) |
O6_1—Mg1_1—O3_1—C5_1 | 111.9 (4) | O7_5—Mg5_5—O3_5—C4_5 | −67.1 (4) |
O5_1—Mg1_1—O3_1—C5_1 | 28.2 (6) | O5_5—Mg5_5—O3_5—C4_5 | −164.4 (4) |
O2_1—Mg1_1—O3_1—C5_1 | −150.2 (4) | O2_5—Mg5_5—O3_5—C4_5 | 15.7 (4) |
O4_1—Mg1_1—O3_1—C5_1 | 19.4 (4) | O4_5—Mg5_5—O3_5—C4_5 | −155.1 (4) |
O1_1—Mg1_1—O3_1—C5_1 | −163.1 (4) | O1_5—Mg5_5—O3_5—C4_5 | 30.4 (5) |
O7_1—Mg1_1—O3_1—C4_1 | 68.9 (4) | O6_5—Mg5_5—O3_5—C5_5 | −111.9 (4) |
O6_1—Mg1_1—O3_1—C4_1 | −113.1 (4) | O7_5—Mg5_5—O3_5—C5_5 | 68.7 (4) |
O5_1—Mg1_1—O3_1—C4_1 | 163.2 (4) | O5_5—Mg5_5—O3_5—C5_5 | −28.6 (6) |
O2_1—Mg1_1—O3_1—C4_1 | −15.2 (3) | O2_5—Mg5_5—O3_5—C5_5 | 151.5 (4) |
O4_1—Mg1_1—O3_1—C4_1 | 154.4 (4) | O4_5—Mg5_5—O3_5—C5_5 | −19.3 (4) |
O1_1—Mg1_1—O3_1—C4_1 | −28.1 (5) | O1_5—Mg5_5—O3_5—C5_5 | 166.2 (4) |
O7_1—Mg1_1—O4_1—C7_1 | −118.9 (4) | O6_5—Mg5_5—O4_5—C7_5 | −62.1 (4) |
O6_1—Mg1_1—O4_1—C7_1 | 60.2 (4) | O7_5—Mg5_5—O4_5—C7_5 | 116.7 (4) |
O5_1—Mg1_1—O4_1—C7_1 | −28.6 (4) | O5_5—Mg5_5—O4_5—C7_5 | 26.1 (4) |
O2_1—Mg1_1—O4_1—C7_1 | 162.8 (4) | O2_5—Mg5_5—O4_5—C7_5 | −163.7 (4) |
O3_1—Mg1_1—O4_1—C7_1 | 145.9 (4) | O3_5—Mg5_5—O4_5—C7_5 | −148.2 (4) |
O1_1—Mg1_1—O4_1—C7_1 | −31.8 (5) | O1_5—Mg5_5—O4_5—C7_5 | 26.6 (5) |
O7_1—Mg1_1—O4_1—C6_1 | 107.7 (4) | O6_5—Mg5_5—O4_5—C6_5 | 72.8 (4) |
O6_1—Mg1_1—O4_1—C6_1 | −73.2 (4) | O7_5—Mg5_5—O4_5—C6_5 | −108.4 (4) |
O5_1—Mg1_1—O4_1—C6_1 | −162.0 (4) | O5_5—Mg5_5—O4_5—C6_5 | 161.1 (4) |
O2_1—Mg1_1—O4_1—C6_1 | 29.4 (6) | O2_5—Mg5_5—O4_5—C6_5 | −28.7 (6) |
O3_1—Mg1_1—O4_1—C6_1 | 12.4 (4) | O3_5—Mg5_5—O4_5—C6_5 | −13.2 (4) |
O1_1—Mg1_1—O4_1—C6_1 | −165.2 (4) | O1_5—Mg5_5—O4_5—C6_5 | 161.5 (4) |
O7_1—Mg1_1—O5_1—C8_1 | 90.1 (5) | O6_5—Mg5_5—O5_5—C8_5 | 90.4 (5) |
O6_1—Mg1_1—O5_1—C8_1 | −88.5 (4) | O7_5—Mg5_5—O5_5—C8_5 | −90.9 (5) |
O2_1—Mg1_1—O5_1—C8_1 | 171.6 (4) | O2_5—Mg5_5—O5_5—C8_5 | −172.3 (4) |
O3_1—Mg1_1—O5_1—C8_1 | −5.8 (6) | O3_5—Mg5_5—O5_5—C8_5 | 7.8 (6) |
O4_1—Mg1_1—O5_1—C8_1 | 3.1 (4) | O4_5—Mg5_5—O5_5—C8_5 | −1.6 (4) |
O1_1—Mg1_1—O5_1—C8_1 | −178.9 (5) | O1_5—Mg5_5—O5_5—C8_5 | 178.7 (5) |
O7_1—Mg1_1—O5_1—C9_1 | −95.2 (4) | O6_5—Mg5_5—O5_5—C9_5 | −86.3 (4) |
O6_1—Mg1_1—O5_1—C9_1 | 86.2 (4) | O7_5—Mg5_5—O5_5—C9_5 | 92.4 (4) |
O2_1—Mg1_1—O5_1—C9_1 | −13.7 (6) | O2_5—Mg5_5—O5_5—C9_5 | 11.1 (6) |
O3_1—Mg1_1—O5_1—C9_1 | 168.9 (4) | O3_5—Mg5_5—O5_5—C9_5 | −168.9 (4) |
O4_1—Mg1_1—O5_1—C9_1 | 177.8 (4) | O4_5—Mg5_5—O5_5—C9_5 | −178.3 (4) |
O1_1—Mg1_1—O5_1—C9_1 | −4.2 (4) | O1_5—Mg5_5—O5_5—C9_5 | 2.0 (4) |
C10_1—O1_1—C1_1—C2_1 | −174.3 (5) | C10_5—O1_5—C1_5—C2_5 | 174.1 (5) |
Mg1_1—O1_1—C1_1—C2_1 | −41.6 (6) | Mg5_5—O1_5—C1_5—C2_5 | 47.4 (5) |
C3_1—O2_1—C2_1—C1_1 | 178.9 (5) | C3_5—O2_5—C2_5—C1_5 | −176.9 (5) |
Mg1_1—O2_1—C2_1—C1_1 | −40.5 (6) | Mg5_5—O2_5—C2_5—C1_5 | 41.8 (6) |
O1_1—C1_1—C2_1—O2_1 | 51.8 (7) | O1_5—C1_5—C2_5—O2_5 | −55.9 (6) |
C2_1—O2_1—C3_1—C4_1 | −174.8 (5) | C2_5—O2_5—C3_5—C4_5 | 175.7 (5) |
Mg1_1—O2_1—C3_1—C4_1 | 44.7 (6) | Mg5_5—O2_5—C3_5—C4_5 | −42.0 (6) |
C5_1—O3_1—C4_1—C3_1 | 178.7 (5) | C5_5—O3_5—C4_5—C3_5 | −176.4 (5) |
Mg1_1—O3_1—C4_1—C3_1 | 43.1 (5) | Mg5_5—O3_5—C4_5—C3_5 | −41.6 (5) |
O2_1—C3_1—C4_1—O3_1 | −54.3 (6) | O2_5—C3_5—C4_5—O3_5 | 51.8 (6) |
C4_1—O3_1—C5_1—C6_1 | 179.1 (5) | C4_5—O3_5—C5_5—C6_5 | −176.6 (5) |
Mg1_1—O3_1—C5_1—C6_1 | −45.6 (6) | Mg5_5—O3_5—C5_5—C6_5 | 47.1 (6) |
C7_1—O4_1—C6_1—C5_1 | −173.0 (5) | C7_5—O4_5—C6_5—C5_5 | 175.0 (5) |
Mg1_1—O4_1—C6_1—C5_1 | −39.8 (6) | Mg5_5—O4_5—C6_5—C5_5 | 41.0 (6) |
O3_1—C5_1—C6_1—O4_1 | 53.6 (7) | O3_5—C5_5—C6_5—O4_5 | −56.2 (7) |
C6_1—O4_1—C7_1—C8_1 | −178.7 (5) | C6_5—O4_5—C7_5—C8_5 | 180.0 (5) |
Mg1_1—O4_1—C7_1—C8_1 | 47.6 (6) | Mg5_5—O4_5—C7_5—C8_5 | −45.6 (6) |
C9_1—O5_1—C8_1—C7_1 | −154.5 (5) | C9_5—O5_5—C8_5—C7_5 | 155.6 (5) |
Mg1_1—O5_1—C8_1—C7_1 | 20.4 (7) | Mg5_5—O5_5—C8_5—C7_5 | −21.1 (7) |
O4_1—C7_1—C8_1—O5_1 | −41.9 (7) | O4_5—C7_5—C8_5—O5_5 | 41.4 (7) |
C8_1—O5_1—C9_1—C10_1 | −155.1 (5) | C8_5—O5_5—C9_5—C10_5 | 153.5 (5) |
Mg1_1—O5_1—C9_1—C10_1 | 29.9 (6) | Mg5_5—O5_5—C9_5—C10_5 | −29.7 (6) |
C1_1—O1_1—C10_1—C9_1 | −179.4 (5) | C1_5—O1_5—C10_5—C9_5 | −178.2 (5) |
Mg1_1—O1_1—C10_1—C9_1 | 47.3 (5) | Mg5_5—O1_5—C10_5—C9_5 | −51.5 (5) |
O5_1—C9_1—C10_1—O1_1 | −47.6 (6) | O5_5—C9_5—C10_5—O1_5 | 50.4 (6) |
O6_2—Mg2_2—O1_2—C1_2 | −115.1 (4) | O7_6—Mg6_6—O1_6—C1_6 | −67.2 (4) |
O7_2—Mg2_2—O1_2—C1_2 | 64.8 (4) | O6_6—Mg6_6—O1_6—C1_6 | 114.3 (4) |
O5_2—Mg2_2—O1_2—C1_2 | 154.9 (4) | O5_6—Mg6_6—O1_6—C1_6 | −156.7 (4) |
O2_2—Mg2_2—O1_2—C1_2 | −19.5 (4) | O2_6—Mg6_6—O1_6—C1_6 | 17.2 (4) |
O3_2—Mg2_2—O1_2—C1_2 | −34.5 (5) | O3_6—Mg6_6—O1_6—C1_6 | 30.3 (5) |
O4_2—Mg2_2—O1_2—C1_2 | 155.6 (4) | O4_6—Mg6_6—O1_6—C1_6 | −153.6 (4) |
O6_2—Mg2_2—O1_2—C10_2 | 117.4 (4) | O7_6—Mg6_6—O1_6—C10_6 | 66.4 (4) |
O7_2—Mg2_2—O1_2—C10_2 | −62.7 (4) | O6_6—Mg6_6—O1_6—C10_6 | −112.1 (4) |
O5_2—Mg2_2—O1_2—C10_2 | 27.4 (3) | O5_6—Mg6_6—O1_6—C10_6 | −23.0 (4) |
O2_2—Mg2_2—O1_2—C10_2 | −147.0 (4) | O2_6—Mg6_6—O1_6—C10_6 | 150.9 (4) |
O3_2—Mg2_2—O1_2—C10_2 | −162.0 (4) | O3_6—Mg6_6—O1_6—C10_6 | 164.0 (4) |
O4_2—Mg2_2—O1_2—C10_2 | 28.1 (5) | O4_6—Mg6_6—O1_6—C10_6 | −19.9 (5) |
O6_2—Mg2_2—O2_2—C3_2 | −69.3 (4) | O7_6—Mg6_6—O2_6—C3_6 | −112.5 (4) |
O7_2—Mg2_2—O2_2—C3_2 | 111.6 (4) | O6_6—Mg6_6—O2_6—C3_6 | 67.2 (4) |
O5_2—Mg2_2—O2_2—C3_2 | −164.7 (4) | O5_6—Mg6_6—O2_6—C3_6 | 165.2 (4) |
O3_2—Mg2_2—O2_2—C3_2 | 15.0 (4) | O3_6—Mg6_6—O2_6—C3_6 | −16.8 (4) |
O4_2—Mg2_2—O2_2—C3_2 | 29.4 (5) | O1_6—Mg6_6—O2_6—C3_6 | 155.2 (4) |
O1_2—Mg2_2—O2_2—C3_2 | −155.7 (4) | O4_6—Mg6_6—O2_6—C3_6 | −33.9 (5) |
O6_2—Mg2_2—O2_2—C2_2 | 72.5 (4) | O7_6—Mg6_6—O2_6—C2_6 | 106.3 (4) |
O7_2—Mg2_2—O2_2—C2_2 | −106.6 (4) | O6_6—Mg6_6—O2_6—C2_6 | −74.0 (4) |
O5_2—Mg2_2—O2_2—C2_2 | −22.9 (6) | O5_6—Mg6_6—O2_6—C2_6 | 24.0 (6) |
O3_2—Mg2_2—O2_2—C2_2 | 156.8 (4) | O3_6—Mg6_6—O2_6—C2_6 | −157.9 (4) |
O4_2—Mg2_2—O2_2—C2_2 | 171.2 (4) | O1_6—Mg6_6—O2_6—C2_6 | 14.0 (4) |
O1_2—Mg2_2—O2_2—C2_2 | −13.9 (4) | O4_6—Mg6_6—O2_6—C2_6 | −175.1 (4) |
O6_2—Mg2_2—O3_2—C4_2 | 112.2 (4) | O7_6—Mg6_6—O3_6—C5_6 | −66.8 (5) |
O7_2—Mg2_2—O3_2—C4_2 | −67.2 (4) | O6_6—Mg6_6—O3_6—C5_6 | 111.5 (4) |
O5_2—Mg2_2—O3_2—C4_2 | −164.5 (4) | O5_6—Mg6_6—O3_6—C5_6 | 27.9 (6) |
O2_2—Mg2_2—O3_2—C4_2 | 15.9 (4) | O2_6—Mg6_6—O3_6—C5_6 | −150.2 (4) |
O4_2—Mg2_2—O3_2—C4_2 | −155.5 (4) | O1_6—Mg6_6—O3_6—C5_6 | −163.3 (4) |
O1_2—Mg2_2—O3_2—C4_2 | 30.9 (5) | O4_6—Mg6_6—O3_6—C5_6 | 19.1 (4) |
O6_2—Mg2_2—O3_2—C5_2 | −109.4 (4) | O7_6—Mg6_6—O3_6—C4_6 | 68.2 (4) |
O7_2—Mg2_2—O3_2—C5_2 | 71.3 (4) | O6_6—Mg6_6—O3_6—C4_6 | −113.5 (4) |
O5_2—Mg2_2—O3_2—C5_2 | −26.0 (6) | O5_6—Mg6_6—O3_6—C4_6 | 162.9 (4) |
O2_2—Mg2_2—O3_2—C5_2 | 154.3 (4) | O2_6—Mg6_6—O3_6—C4_6 | −15.2 (4) |
O4_2—Mg2_2—O3_2—C5_2 | −17.0 (4) | O1_6—Mg6_6—O3_6—C4_6 | −28.3 (5) |
O1_2—Mg2_2—O3_2—C5_2 | 169.3 (4) | O4_6—Mg6_6—O3_6—C4_6 | 154.1 (4) |
O6_2—Mg2_2—O4_2—C7_2 | −63.2 (4) | O7_6—Mg6_6—O4_6—C6_6 | 107.4 (4) |
O7_2—Mg2_2—O4_2—C7_2 | 116.3 (4) | O6_6—Mg6_6—O4_6—C6_6 | −73.4 (4) |
O5_2—Mg2_2—O4_2—C7_2 | 25.7 (4) | O5_6—Mg6_6—O4_6—C6_6 | −162.1 (5) |
O2_2—Mg2_2—O4_2—C7_2 | −163.1 (4) | O2_6—Mg6_6—O4_6—C6_6 | 29.6 (6) |
O3_2—Mg2_2—O4_2—C7_2 | −148.8 (4) | O3_6—Mg6_6—O4_6—C6_6 | 12.4 (4) |
O1_2—Mg2_2—O4_2—C7_2 | 25.0 (5) | O1_6—Mg6_6—O4_6—C6_6 | −165.2 (4) |
O6_2—Mg2_2—O4_2—C6_2 | 70.0 (4) | O7_6—Mg6_6—O4_6—C7_6 | −118.3 (4) |
O7_2—Mg2_2—O4_2—C6_2 | −110.5 (4) | O6_6—Mg6_6—O4_6—C7_6 | 61.0 (4) |
O5_2—Mg2_2—O4_2—C6_2 | 158.9 (4) | O5_6—Mg6_6—O4_6—C7_6 | −27.7 (4) |
O2_2—Mg2_2—O4_2—C6_2 | −29.9 (6) | O2_6—Mg6_6—O4_6—C7_6 | 163.9 (4) |
O3_2—Mg2_2—O4_2—C6_2 | −15.6 (4) | O3_6—Mg6_6—O4_6—C7_6 | 146.7 (4) |
O1_2—Mg2_2—O4_2—C6_2 | 158.2 (4) | O1_6—Mg6_6—O4_6—C7_6 | −30.9 (5) |
O6_2—Mg2_2—O5_2—C8_2 | 91.0 (4) | O7_6—Mg6_6—O5_6—C9_6 | −95.9 (4) |
O7_2—Mg2_2—O5_2—C8_2 | −89.9 (5) | O6_6—Mg6_6—O5_6—C9_6 | 85.4 (4) |
O2_2—Mg2_2—O5_2—C8_2 | −171.8 (4) | O2_6—Mg6_6—O5_6—C9_6 | −15.1 (6) |
O3_2—Mg2_2—O5_2—C8_2 | 8.7 (6) | O3_6—Mg6_6—O5_6—C9_6 | 168.1 (4) |
O4_2—Mg2_2—O5_2—C8_2 | −0.3 (4) | O1_6—Mg6_6—O5_6—C9_6 | −5.0 (4) |
O1_2—Mg2_2—O5_2—C8_2 | 179.2 (5) | O4_6—Mg6_6—O5_6—C9_6 | 176.9 (4) |
O6_2—Mg2_2—O5_2—C9_2 | −86.1 (4) | O7_6—Mg6_6—O5_6—C8_6 | 90.1 (5) |
O7_2—Mg2_2—O5_2—C9_2 | 93.0 (4) | O6_6—Mg6_6—O5_6—C8_6 | −88.7 (5) |
O2_2—Mg2_2—O5_2—C9_2 | 11.1 (6) | O2_6—Mg6_6—O5_6—C8_6 | 170.9 (4) |
O3_2—Mg2_2—O5_2—C9_2 | −168.4 (4) | O3_6—Mg6_6—O5_6—C8_6 | −6.0 (6) |
O4_2—Mg2_2—O5_2—C9_2 | −177.5 (4) | O1_6—Mg6_6—O5_6—C8_6 | −179.1 (5) |
O1_2—Mg2_2—O5_2—C9_2 | 2.1 (4) | O4_6—Mg6_6—O5_6—C8_6 | 2.8 (4) |
C10_2—O1_2—C1_2—C2_2 | 174.2 (5) | C10_6—O1_6—C1_6—C2_6 | −175.1 (5) |
Mg2_2—O1_2—C1_2—C2_2 | 47.0 (5) | Mg6_6—O1_6—C1_6—C2_6 | −42.2 (6) |
C3_2—O2_2—C2_2—C1_2 | −175.9 (5) | C3_6—O2_6—C2_6—C1_6 | 177.4 (6) |
Mg2_2—O2_2—C2_2—C1_2 | 42.1 (6) | Mg6_6—O2_6—C2_6—C1_6 | −40.9 (6) |
O1_2—C1_2—C2_2—O2_2 | −55.8 (6) | O1_6—C1_6—C2_6—O2_6 | 52.1 (7) |
C2_2—O2_2—C3_2—C4_2 | 176.4 (5) | C2_6—O2_6—C3_6—C4_6 | −175.6 (5) |
Mg2_2—O2_2—C3_2—C4_2 | −41.0 (6) | Mg6_6—O2_6—C3_6—C4_6 | 43.1 (6) |
C5_2—O3_2—C4_2—C3_2 | −178.8 (5) | C5_6—O3_6—C4_6—C3_6 | 177.8 (5) |
Mg2_2—O3_2—C4_2—C3_2 | −41.0 (5) | Mg6_6—O3_6—C4_6—C3_6 | 42.0 (5) |
O2_2—C3_2—C4_2—O3_2 | 50.9 (6) | O2_6—C3_6—C4_6—O3_6 | −52.7 (6) |
C4_2—O3_2—C5_2—C6_2 | −176.7 (5) | C4_6—O3_6—C5_6—C6_6 | 179.9 (5) |
Mg2_2—O3_2—C5_2—C6_2 | 44.6 (6) | Mg6_6—O3_6—C5_6—C6_6 | −44.6 (6) |
C7_2—O4_2—C6_2—C5_2 | 174.1 (5) | C7_6—O4_6—C6_6—C5_6 | −172.3 (5) |
Mg2_2—O4_2—C6_2—C5_2 | 42.4 (6) | Mg6_6—O4_6—C6_6—C5_6 | −39.7 (6) |
O3_2—C5_2—C6_2—O4_2 | −55.5 (7) | O3_6—C5_6—C6_6—O4_6 | 53.4 (7) |
C6_2—O4_2—C7_2—C8_2 | −179.1 (5) | C6_6—O4_6—C7_6—C8_6 | −179.1 (5) |
Mg2_2—O4_2—C7_2—C8_2 | −46.5 (6) | Mg6_6—O4_6—C7_6—C8_6 | 47.4 (6) |
C9_2—O5_2—C8_2—C7_2 | 153.8 (5) | C9_6—O5_6—C8_6—C7_6 | −153.3 (5) |
Mg2_2—O5_2—C8_2—C7_2 | −23.5 (7) | Mg6_6—O5_6—C8_6—C7_6 | 21.0 (7) |
O4_2—C7_2—C8_2—O5_2 | 43.9 (7) | O4_6—C7_6—C8_6—O5_6 | −42.7 (7) |
C8_2—O5_2—C9_2—C10_2 | 153.7 (5) | C8_6—O5_6—C9_6—C10_6 | −155.2 (5) |
Mg2_2—O5_2—C9_2—C10_2 | −29.0 (6) | Mg6_6—O5_6—C9_6—C10_6 | 30.4 (6) |
C1_2—O1_2—C10_2—C9_2 | −177.5 (5) | C1_6—O1_6—C10_6—C9_6 | 179.5 (5) |
Mg2_2—O1_2—C10_2—C9_2 | −50.0 (5) | Mg6_6—O1_6—C10_6—C9_6 | 45.5 (5) |
O5_2—C9_2—C10_2—O1_2 | 49.0 (6) | O5_6—C9_6—C10_6—O1_6 | −46.9 (6) |
Mg9_9—O6_3—Mg3_3—O7_3 | −17 (7) | Mg10_10—O6_7—Mg7_7—O7_7 | −32 (8) |
Mg9_9—O6_3—Mg3_3—O5_3 | −8.2 (17) | Mg10_10—O6_7—Mg7_7—O5_7 | −1 (2) |
Mg9_9—O6_3—Mg3_3—O2_3 | 135.8 (18) | Mg10_10—O6_7—Mg7_7—O2_7 | −145 (2) |
Mg9_9—O6_3—Mg3_3—O3_3 | −152.2 (18) | Mg10_10—O6_7—Mg7_7—O3_7 | 143 (2) |
Mg9_9—O6_3—Mg3_3—O1_3 | 63.4 (17) | Mg10_10—O6_7—Mg7_7—O4_7 | 70 (2) |
Mg9_9—O6_3—Mg3_3—O4_3 | −79.1 (17) | Mg10_10—O6_7—Mg7_7—O1_7 | −73 (2) |
Mg9_9—O7_3—Mg3_3—O6_3 | 17 (7) | Mg10_10—O7_7—Mg7_7—O6_7 | 33 (8) |
Mg9_9—O7_3—Mg3_3—O5_3 | 8.6 (16) | Mg10_10—O7_7—Mg7_7—O5_7 | 2 (2) |
Mg9_9—O7_3—Mg3_3—O2_3 | −135.5 (18) | Mg10_10—O7_7—Mg7_7—O2_7 | 146 (2) |
Mg9_9—O7_3—Mg3_3—O3_3 | 152.5 (18) | Mg10_10—O7_7—Mg7_7—O3_7 | −142 (2) |
Mg9_9—O7_3—Mg3_3—O1_3 | −63.0 (17) | Mg10_10—O7_7—Mg7_7—O4_7 | −69 (2) |
Mg9_9—O7_3—Mg3_3—O4_3 | 79.6 (17) | Mg10_10—O7_7—Mg7_7—O1_7 | 73 (2) |
O6_3—Mg3_3—O1_3—C1_3 | 115.2 (4) | O6_7—Mg7_7—O1_7—C1_7 | −114.6 (4) |
O7_3—Mg3_3—O1_3—C1_3 | −67.0 (4) | O7_7—Mg7_7—O1_7—C1_7 | 66.7 (4) |
O5_3—Mg3_3—O1_3—C1_3 | −155.2 (4) | O5_7—Mg7_7—O1_7—C1_7 | 155.2 (4) |
O2_3—Mg3_3—O1_3—C1_3 | 16.9 (4) | O2_7—Mg7_7—O1_7—C1_7 | −18.3 (4) |
O3_3—Mg3_3—O1_3—C1_3 | 30.2 (6) | O3_7—Mg7_7—O1_7—C1_7 | −34.3 (6) |
O4_3—Mg3_3—O1_3—C1_3 | −153.3 (5) | O4_7—Mg7_7—O1_7—C1_7 | 157.8 (5) |
O6_3—Mg3_3—O1_3—C10_3 | −112.1 (4) | O6_7—Mg7_7—O1_7—C10_7 | 116.1 (4) |
O7_3—Mg3_3—O1_3—C10_3 | 65.7 (4) | O7_7—Mg7_7—O1_7—C10_7 | −62.7 (4) |
O5_3—Mg3_3—O1_3—C10_3 | −22.5 (4) | O5_7—Mg7_7—O1_7—C10_7 | 25.9 (4) |
O2_3—Mg3_3—O1_3—C10_3 | 149.6 (4) | O2_7—Mg7_7—O1_7—C10_7 | −147.6 (4) |
O3_3—Mg3_3—O1_3—C10_3 | 163.0 (5) | O3_7—Mg7_7—O1_7—C10_7 | −163.6 (5) |
O4_3—Mg3_3—O1_3—C10_3 | −20.6 (6) | O4_7—Mg7_7—O1_7—C10_7 | 28.4 (6) |
O6_3—Mg3_3—O2_3—C2_3 | −70.9 (5) | O6_7—Mg7_7—O2_7—C2_7 | 70.6 (5) |
O7_3—Mg3_3—O2_3—C2_3 | 108.1 (5) | O7_7—Mg7_7—O2_7—C2_7 | −107.6 (5) |
O5_3—Mg3_3—O2_3—C2_3 | 28.7 (7) | O5_7—Mg7_7—O2_7—C2_7 | −25.0 (7) |
O3_3—Mg3_3—O2_3—C2_3 | −155.8 (5) | O3_7—Mg7_7—O2_7—C2_7 | 155.6 (5) |
O1_3—Mg3_3—O2_3—C2_3 | 16.1 (5) | O4_7—Mg7_7—O2_7—C2_7 | 169.5 (5) |
O4_3—Mg3_3—O2_3—C2_3 | −174.1 (5) | O1_7—Mg7_7—O2_7—C2_7 | −14.7 (5) |
O6_3—Mg3_3—O2_3—C3_3 | 68.6 (5) | O6_7—Mg7_7—O2_7—C3_7 | −70.1 (4) |
O7_3—Mg3_3—O2_3—C3_3 | −112.4 (5) | O7_7—Mg7_7—O2_7—C3_7 | 111.7 (4) |
O5_3—Mg3_3—O2_3—C3_3 | 168.2 (5) | O5_7—Mg7_7—O2_7—C3_7 | −165.7 (4) |
O3_3—Mg3_3—O2_3—C3_3 | −16.3 (4) | O3_7—Mg7_7—O2_7—C3_7 | 14.9 (4) |
O1_3—Mg3_3—O2_3—C3_3 | 155.6 (5) | O4_7—Mg7_7—O2_7—C3_7 | 28.8 (6) |
O4_3—Mg3_3—O2_3—C3_3 | −34.6 (6) | O1_7—Mg7_7—O2_7—C3_7 | −155.4 (5) |
O6_3—Mg3_3—O3_3—C5_3 | 110.5 (5) | O6_7—Mg7_7—O3_7—C5_7 | −106.9 (5) |
O7_3—Mg3_3—O3_3—C5_3 | −68.0 (5) | O7_7—Mg7_7—O3_7—C5_7 | 73.0 (5) |
O5_3—Mg3_3—O3_3—C5_3 | 24.9 (7) | O5_7—Mg7_7—O3_7—C5_7 | −22.7 (7) |
O2_3—Mg3_3—O3_3—C5_3 | −150.6 (5) | O2_7—Mg7_7—O3_7—C5_7 | 156.7 (5) |
O1_3—Mg3_3—O3_3—C5_3 | −163.9 (5) | O4_7—Mg7_7—O3_7—C5_7 | −15.0 (5) |
O4_3—Mg3_3—O3_3—C5_3 | 18.3 (5) | O1_7—Mg7_7—O3_7—C5_7 | 172.7 (5) |
O6_3—Mg3_3—O3_3—C4_3 | −113.0 (4) | O6_7—Mg7_7—O3_7—C4_7 | 113.5 (4) |
O7_3—Mg3_3—O3_3—C4_3 | 68.5 (4) | O7_7—Mg7_7—O3_7—C4_7 | −66.7 (4) |
O5_3—Mg3_3—O3_3—C4_3 | 161.3 (4) | O5_7—Mg7_7—O3_7—C4_7 | −162.4 (5) |
O2_3—Mg3_3—O3_3—C4_3 | −14.1 (4) | O2_7—Mg7_7—O3_7—C4_7 | 17.1 (4) |
O1_3—Mg3_3—O3_3—C4_3 | −27.5 (6) | O4_7—Mg7_7—O3_7—C4_7 | −154.6 (5) |
O4_3—Mg3_3—O3_3—C4_3 | 154.8 (4) | O1_7—Mg7_7—O3_7—C4_7 | 33.1 (6) |
O6_3—Mg3_3—O4_3—C7_3 | 59.4 (4) | O6_7—Mg7_7—O4_7—C7_7 | −61.4 (4) |
O7_3—Mg3_3—O4_3—C7_3 | −118.7 (4) | O7_7—Mg7_7—O4_7—C7_7 | 116.6 (4) |
O5_3—Mg3_3—O4_3—C7_3 | −29.6 (4) | O5_7—Mg7_7—O4_7—C7_7 | 27.4 (4) |
O2_3—Mg3_3—O4_3—C7_3 | 164.5 (4) | O2_7—Mg7_7—O4_7—C7_7 | −161.6 (5) |
O3_3—Mg3_3—O4_3—C7_3 | 146.3 (4) | O3_7—Mg7_7—O4_7—C7_7 | −147.8 (5) |
O1_3—Mg3_3—O4_3—C7_3 | −31.5 (6) | O1_7—Mg7_7—O4_7—C7_7 | 24.9 (6) |
O6_3—Mg3_3—O4_3—C6_3 | −74.0 (5) | O6_7—Mg7_7—O4_7—C6_7 | 69.7 (5) |
O7_3—Mg3_3—O4_3—C6_3 | 108.0 (5) | O7_7—Mg7_7—O4_7—C6_7 | −112.2 (5) |
O5_3—Mg3_3—O4_3—C6_3 | −162.9 (5) | O5_7—Mg7_7—O4_7—C6_7 | 158.5 (5) |
O2_3—Mg3_3—O4_3—C6_3 | 31.2 (7) | O2_7—Mg7_7—O4_7—C6_7 | −30.5 (7) |
O3_3—Mg3_3—O4_3—C6_3 | 13.0 (5) | O3_7—Mg7_7—O4_7—C6_7 | −16.6 (5) |
O1_3—Mg3_3—O4_3—C6_3 | −164.8 (5) | O1_7—Mg7_7—O4_7—C6_7 | 156.0 (5) |
O6_3—Mg3_3—O5_3—C9_3 | 81.8 (5) | O6_7—Mg7_7—O5_7—C8_7 | 89.4 (5) |
O7_3—Mg3_3—O5_3—C9_3 | −98.5 (5) | O7_7—Mg7_7—O5_7—C8_7 | −91.6 (5) |
O2_3—Mg3_3—O5_3—C9_3 | −20.5 (7) | O2_7—Mg7_7—O5_7—C8_7 | −173.0 (5) |
O3_3—Mg3_3—O5_3—C9_3 | 166.8 (5) | O3_7—Mg7_7—O5_7—C8_7 | 6.1 (7) |
O1_3—Mg3_3—O5_3—C9_3 | −7.8 (5) | O4_7—Mg7_7—O5_7—C8_7 | −1.8 (5) |
O4_3—Mg3_3—O5_3—C9_3 | 173.4 (5) | O1_7—Mg7_7—O5_7—C8_7 | 176.6 (5) |
O6_3—Mg3_3—O5_3—C8_3 | −86.3 (5) | O6_7—Mg7_7—O5_7—C9_7 | −82.8 (5) |
O7_3—Mg3_3—O5_3—C8_3 | 93.3 (5) | O7_7—Mg7_7—O5_7—C9_7 | 96.2 (5) |
O2_3—Mg3_3—O5_3—C8_3 | 171.4 (5) | O2_7—Mg7_7—O5_7—C9_7 | 14.7 (7) |
O3_3—Mg3_3—O5_3—C8_3 | −1.3 (7) | O3_7—Mg7_7—O5_7—C9_7 | −166.2 (5) |
O1_3—Mg3_3—O5_3—C8_3 | −175.9 (5) | O4_7—Mg7_7—O5_7—C9_7 | −174.0 (5) |
O4_3—Mg3_3—O5_3—C8_3 | 5.3 (5) | O1_7—Mg7_7—O5_7—C9_7 | 4.3 (4) |
C10_3—O1_3—C1_3—C2_3 | −175.8 (6) | C10_7—O1_7—C1_7—C2_7 | 174.8 (6) |
Mg3_3—O1_3—C1_3—C2_3 | −43.2 (6) | Mg7_7—O1_7—C1_7—C2_7 | 45.3 (6) |
C3_3—O2_3—C2_3—C1_3 | 176.5 (6) | C3_7—O2_7—C2_7—C1_7 | −176.9 (6) |
Mg3_3—O2_3—C2_3—C1_3 | −42.7 (7) | Mg7_7—O2_7—C2_7—C1_7 | 41.9 (7) |
O1_3—C1_3—C2_3—O2_3 | 53.8 (8) | O1_7—C1_7—C2_7—O2_7 | −54.9 (7) |
C2_3—O2_3—C3_3—C4_3 | −177.9 (6) | C2_7—O2_7—C3_7—C4_7 | 177.1 (6) |
Mg3_3—O2_3—C3_3—C4_3 | 41.5 (7) | Mg7_7—O2_7—C3_7—C4_7 | −41.2 (7) |
C5_3—O3_3—C4_3—C3_3 | 176.5 (6) | C5_7—O3_7—C4_7—C3_7 | 176.6 (6) |
Mg3_3—O3_3—C4_3—C3_3 | 40.1 (6) | Mg7_7—O3_7—C4_7—C3_7 | −43.3 (6) |
O2_3—C3_3—C4_3—O3_3 | −50.3 (7) | O2_7—C3_7—C4_7—O3_7 | 52.4 (7) |
C4_3—O3_3—C5_3—C6_3 | 178.2 (6) | C4_7—O3_7—C5_7—C6_7 | −178.2 (6) |
Mg3_3—O3_3—C5_3—C6_3 | −44.9 (7) | Mg7_7—O3_7—C5_7—C6_7 | 42.0 (7) |
C7_3—O4_3—C6_3—C5_3 | −172.1 (6) | C7_7—O4_7—C6_7—C5_7 | 172.7 (6) |
Mg3_3—O4_3—C6_3—C5_3 | −39.8 (7) | Mg7_7—O4_7—C6_7—C5_7 | 42.2 (7) |
O3_3—C5_3—C6_3—O4_3 | 54.2 (8) | O3_7—C5_7—C6_7—O4_7 | −53.3 (8) |
C6_3—O4_3—C7_3—C8_3 | −179.9 (6) | C6_7—O4_7—C7_7—C8_7 | −178.1 (6) |
Mg3_3—O4_3—C7_3—C8_3 | 47.6 (7) | Mg7_7—O4_7—C7_7—C8_7 | −47.2 (7) |
C9_3—O5_3—C8_3—C7_3 | −150.8 (6) | C9_7—O5_7—C8_7—C7_7 | 150.7 (6) |
Mg3_3—O5_3—C8_3—C7_3 | 17.9 (8) | Mg7_7—O5_7—C8_7—C7_7 | −21.9 (8) |
O4_3—C7_3—C8_3—O5_3 | −40.9 (8) | O4_7—C7_7—C8_7—O5_7 | 43.1 (8) |
C8_3—O5_3—C9_3—C10_3 | −157.2 (6) | C8_7—O5_7—C9_7—C10_7 | 155.8 (6) |
Mg3_3—O5_3—C9_3—C10_3 | 33.9 (7) | Mg7_7—O5_7—C9_7—C10_7 | −31.5 (7) |
C1_3—O1_3—C10_3—C9_3 | 178.9 (5) | C1_7—O1_7—C10_7—C9_7 | −178.1 (5) |
Mg3_3—O1_3—C10_3—C9_3 | 46.0 (6) | Mg7_7—O1_7—C10_7—C9_7 | −48.8 (6) |
O5_3—C9_3—C10_3—O1_3 | −49.1 (7) | O5_7—C9_7—C10_7—O1_7 | 49.4 (7) |
Mg3_3—O7_3—Mg9_9—O5_9 | 8.9 (17) | Mg7_7—O7_7—Mg10_10—O6_7 | −9 (2) |
Mg3_3—O7_3—Mg9_9—O6_3 | −4.5 (19) | Mg7_7—O7_7—Mg10_10—O5_10 | 2 (2) |
Mg3_3—O7_3—Mg9_9—O2_9 | −135.0 (17) | Mg7_7—O7_7—Mg10_10—O2_10 | 145 (2) |
Mg3_3—O7_3—Mg9_9—O3_9 | 152.9 (17) | Mg7_7—O7_7—Mg10_10—O3_10 | −143 (2) |
Mg3_3—O7_3—Mg9_9—O1_9 | −63.5 (17) | Mg7_7—O7_7—Mg10_10—O4_10 | −70 (2) |
Mg3_3—O7_3—Mg9_9—O4_9 | 80.5 (17) | Mg7_7—O7_7—Mg10_10—O1_10 | 73 (2) |
Mg3_3—O6_3—Mg9_9—O7_3 | 5 (2) | Mg7_7—O6_7—Mg10_10—O7_7 | 9 (2) |
Mg3_3—O6_3—Mg9_9—O5_9 | −8.5 (17) | Mg7_7—O6_7—Mg10_10—O5_10 | −1 (2) |
Mg3_3—O6_3—Mg9_9—O2_9 | 135.9 (17) | Mg7_7—O6_7—Mg10_10—O2_10 | −145 (2) |
Mg3_3—O6_3—Mg9_9—O3_9 | −152.3 (17) | Mg7_7—O6_7—Mg10_10—O3_10 | 143 (2) |
Mg3_3—O6_3—Mg9_9—O1_9 | 63.7 (17) | Mg7_7—O6_7—Mg10_10—O4_10 | 71 (2) |
Mg3_3—O6_3—Mg9_9—O4_9 | −80.3 (17) | Mg7_7—O6_7—Mg10_10—O1_10 | −72 (2) |
O7_3—Mg9_9—O1_9—C1_9 | −117.7 (2) | O7_7—Mg10_10—O1_10—C10_10 | −111.6 (2) |
O5_9—Mg9_9—O1_9—C1_9 | 156.1 | O6_7—Mg10_10—O1_10—C10_10 | 61.6 (2) |
O6_3—Mg9_9—O1_9—C1_9 | 69.0 (2) | O5_10—Mg10_10—O1_10—C10_10 | −25.2 |
O2_9—Mg9_9—O1_9—C1_9 | −18.2 | O2_10—Mg10_10—O1_10—C10_10 | 148.8 |
O3_9—Mg9_9—O1_9—C1_9 | −32.6 | O3_10—Mg10_10—O1_10—C10_10 | 163.5 |
O4_9—Mg9_9—O1_9—C1_9 | 155.6 | O4_10—Mg10_10—O1_10—C10_10 | −23.4 |
O7_3—Mg9_9—O1_9—C10_9 | 112.3 (2) | O7_7—Mg10_10—O1_10—C1_10 | 116.9 (2) |
O5_9—Mg9_9—O1_9—C10_9 | 26.1 | O6_7—Mg10_10—O1_10—C1_10 | −69.9 (2) |
O6_3—Mg9_9—O1_9—C10_9 | −61.1 (2) | O5_10—Mg10_10—O1_10—C1_10 | −156.7 |
O2_9—Mg9_9—O1_9—C10_9 | −148.3 | O2_10—Mg10_10—O1_10—C1_10 | 17.3 |
O3_9—Mg9_9—O1_9—C10_9 | −162.6 | O3_10—Mg10_10—O1_10—C1_10 | 32.0 |
O4_9—Mg9_9—O1_9—C10_9 | 25.6 | O4_10—Mg10_10—O1_10—C1_10 | −154.9 |
O7_3—Mg9_9—O2_9—C3_9 | −71.3 (2) | O7_7—Mg10_10—O2_10—C2_10 | −71.4 (2) |
O5_9—Mg9_9—O2_9—C3_9 | −164.4 | O6_7—Mg10_10—O2_10—C2_10 | 105.5 (2) |
O6_3—Mg9_9—O2_9—C3_9 | 114.6 (2) | O5_10—Mg10_10—O2_10—C2_10 | 24.5 |
O3_9—Mg9_9—O2_9—C3_9 | 16.0 | O3_10—Mg10_10—O2_10—C2_10 | −156.2 |
O1_9—Mg9_9—O2_9—C3_9 | −155.1 | O4_10—Mg10_10—O2_10—C2_10 | −173.1 |
O4_9—Mg9_9—O2_9—C3_9 | 31.0 | O1_10—Mg10_10—O2_10—C2_10 | 14.9 |
O7_3—Mg9_9—O2_9—C2_9 | 71.2 (2) | O7_7—Mg10_10—O2_10—C3_10 | 68.3 (2) |
O5_9—Mg9_9—O2_9—C2_9 | −21.9 | O6_7—Mg10_10—O2_10—C3_10 | −114.7 (2) |
O6_3—Mg9_9—O2_9—C2_9 | −102.9 (2) | O5_10—Mg10_10—O2_10—C3_10 | 164.2 |
O3_9—Mg9_9—O2_9—C2_9 | 158.4 | O3_10—Mg10_10—O2_10—C3_10 | −16.4 |
O1_9—Mg9_9—O2_9—C2_9 | −12.7 | O4_10—Mg10_10—O2_10—C3_10 | −33.4 |
O4_9—Mg9_9—O2_9—C2_9 | 173.4 | O1_10—Mg10_10—O2_10—C3_10 | 154.7 |
O7_3—Mg9_9—O3_9—C5_9 | −110.1 (2) | O7_7—Mg10_10—O3_10—C4_10 | −115.5 (2) |
O5_9—Mg9_9—O3_9—C5_9 | −28.1 | O6_7—Mg10_10—O3_10—C4_10 | 69.5 (2) |
O6_3—Mg9_9—O3_9—C5_9 | 66.9 (2) | O5_10—Mg10_10—O3_10—C4_10 | 163.9 |
O2_9—Mg9_9—O3_9—C5_9 | 151.6 | O2_10—Mg10_10—O3_10—C4_10 | −15.4 |
O1_9—Mg9_9—O3_9—C5_9 | 165.9 | O4_10—Mg10_10—O3_10—C4_10 | 154.3 |
O4_9—Mg9_9—O3_9—C5_9 | −19.2 | O1_10—Mg10_10—O3_10—C4_10 | −30.1 |
O7_3—Mg9_9—O3_9—C4_9 | 114.2 (2) | O7_7—Mg10_10—O3_10—C5_10 | 109.4 (2) |
O5_9—Mg9_9—O3_9—C4_9 | −163.8 | O6_7—Mg10_10—O3_10—C5_10 | −65.7 (2) |
O6_3—Mg9_9—O3_9—C4_9 | −68.7 (2) | O5_10—Mg10_10—O3_10—C5_10 | 28.8 |
O2_9—Mg9_9—O3_9—C4_9 | 15.9 | O2_10—Mg10_10—O3_10—C5_10 | −150.6 |
O1_9—Mg9_9—O3_9—C4_9 | 30.2 | O4_10—Mg10_10—O3_10—C5_10 | 19.1 |
O4_9—Mg9_9—O3_9—C4_9 | −154.9 | O1_10—Mg10_10—O3_10—C5_10 | −165.3 |
O7_3—Mg9_9—O4_9—C6_9 | 76.1 (2) | O7_7—Mg10_10—O4_10—C7_10 | 57.3 (2) |
O5_9—Mg9_9—O4_9—C6_9 | 161.0 | O6_7—Mg10_10—O4_10—C7_10 | −116.7 (2) |
O6_3—Mg9_9—O4_9—C6_9 | −111.6 (2) | O5_10—Mg10_10—O4_10—C7_10 | −29.0 |
O2_9—Mg9_9—O4_9—C6_9 | −28.4 | O2_10—Mg10_10—O4_10—C7_10 | 161.9 |
O3_9—Mg9_9—O4_9—C6_9 | −13.4 | O3_10—Mg10_10—O4_10—C7_10 | 145.0 |
O1_9—Mg9_9—O4_9—C6_9 | 161.5 | O1_10—Mg10_10—O4_10—C7_10 | −30.8 |
O7_3—Mg9_9—O4_9—C7_9 | −59.1 (2) | O7_7—Mg10_10—O4_10—C6_10 | −74.1 (2) |
O5_9—Mg9_9—O4_9—C7_9 | 25.8 | O6_7—Mg10_10—O4_10—C6_10 | 111.9 (2) |
O6_3—Mg9_9—O4_9—C7_9 | 113.2 (2) | O5_10—Mg10_10—O4_10—C6_10 | −160.4 |
O2_9—Mg9_9—O4_9—C7_9 | −163.6 | O2_10—Mg10_10—O4_10—C6_10 | 30.5 |
O3_9—Mg9_9—O4_9—C7_9 | −148.6 | O3_10—Mg10_10—O4_10—C6_10 | 13.6 |
O1_9—Mg9_9—O4_9—C7_9 | 26.2 | O1_10—Mg10_10—O4_10—C6_10 | −162.2 |
O7_3—Mg9_9—O5_9—C9_9 | −84.7 (2) | O7_7—Mg10_10—O5_10—C9_10 | 87.3 (2) |
O6_3—Mg9_9—O5_9—C9_9 | 93.5 (2) | O6_7—Mg10_10—O5_10—C9_10 | −93.9 (2) |
O2_9—Mg9_9—O5_9—C9_9 | 12.4 | O2_10—Mg10_10—O5_10—C9_10 | −12.7 |
O3_9—Mg9_9—O5_9—C9_9 | −168.1 | O3_10—Mg10_10—O5_10—C9_10 | 168.4 |
O1_9—Mg9_9—O5_9—C9_9 | 3.2 | O4_10—Mg10_10—O5_10—C9_10 | 178.1 |
O4_9—Mg9_9—O5_9—C9_9 | −177.1 | O1_10—Mg10_10—O5_10—C9_10 | −3.1 |
O7_3—Mg9_9—O5_9—C8_9 | 91.5 (2) | O7_7—Mg10_10—O5_10—C8_10 | −87.9 (2) |
O6_3—Mg9_9—O5_9—C8_9 | −90.3 (2) | O6_7—Mg10_10—O5_10—C8_10 | 90.9 (2) |
O2_9—Mg9_9—O5_9—C8_9 | −171.4 | O2_10—Mg10_10—O5_10—C8_10 | 172.1 |
O3_9—Mg9_9—O5_9—C8_9 | 8.0 | O3_10—Mg10_10—O5_10—C8_10 | −6.8 |
O1_9—Mg9_9—O5_9—C8_9 | 179.3 | O4_10—Mg10_10—O5_10—C8_10 | 2.9 |
O4_9—Mg9_9—O5_9—C8_9 | −0.9 | O1_10—Mg10_10—O5_10—C8_10 | −178.2 |
C10_9—O1_9—C1_9—C2_9 | 174.8 | C10_10—O1_10—C1_10—C2_10 | −173.8 |
Mg9_9—O1_9—C1_9—C2_9 | 44.9 | Mg10_10—O1_10—C1_10—C2_10 | −43.4 |
C3_9—O2_9—C2_9—C1_9 | −178.0 | C3_10—O2_10—C2_10—C1_10 | 177.0 |
Mg9_9—O2_9—C2_9—C1_9 | 39.6 | Mg10_10—O2_10—C2_10—C1_10 | −41.9 |
O1_9—C1_9—C2_9—O2_9 | −52.9 | O1_10—C1_10—C2_10—O2_10 | 53.4 |
C2_9—O2_9—C3_9—C4_9 | 174.7 | C2_10—O2_10—C3_10—C4_10 | −175.7 |
Mg9_9—O2_9—C3_9—C4_9 | −42.7 | Mg10_10—O2_10—C3_10—C4_10 | 42.7 |
C5_9—O3_9—C4_9—C3_9 | −178.9 | C5_10—O3_10—C4_10—C3_10 | 176.4 |
Mg9_9—O3_9—C4_9—C3_9 | −42.7 | Mg10_10—O3_10—C4_10—C3_10 | 41.5 |
O2_9—C3_9—C4_9—O3_9 | 53.1 | O2_10—C3_10—C4_10—O3_10 | −52.0 |
C4_9—O3_9—C5_9—C6_9 | −178.8 | C4_10—O3_10—C5_10—C6_10 | 177.5 |
Mg9_9—O3_9—C5_9—C6_9 | 45.2 | Mg10_10—O3_10—C5_10—C6_10 | −46.9 |
C7_9—O4_9—C6_9—C5_9 | 172.9 | C7_10—O4_10—C6_10—C5_10 | −173.9 |
Mg9_9—O4_9—C6_9—C5_9 | 39.8 | Mg10_10—O4_10—C6_10—C5_10 | −42.5 |
O3_9—C5_9—C6_9—O4_9 | −54.0 | O3_10—C5_10—C6_10—O4_10 | 56.5 |
C6_9—O4_9—C7_9—C8_9 | 178.7 | C6_10—O4_10—C7_10—C8_10 | 179.4 |
Mg9_9—O4_9—C7_9—C8_9 | −46.8 | Mg10_10—O4_10—C7_10—C8_10 | 47.8 |
C9_9—O5_9—C8_9—C7_9 | 153.0 | C9_10—O5_10—C8_10—C7_10 | −154.9 |
Mg9_9—O5_9—C8_9—C7_9 | −23.3 | Mg10_10—O5_10—C8_10—C7_10 | 20.5 |
O4_9—C7_9—C8_9—O5_9 | 43.9 | O4_10—C7_10—C8_10—O5_10 | −42.4 |
C8_9—O5_9—C9_9—C10_9 | 153.8 | C8_10—O5_10—C9_10—C10_10 | −156.3 |
Mg9_9—O5_9—C9_9—C10_9 | −29.8 | Mg10_10—O5_10—C9_10—C10_10 | 28.2 |
C1_9—O1_9—C10_9—C9_9 | −178.9 | C1_10—O1_10—C10_10—C9_10 | 178.1 |
Mg9_9—O1_9—C10_9—C9_9 | −48.3 | Mg10_10—O1_10—C10_10—C9_10 | 47.5 |
O5_9—C9_9—C10_9—O1_9 | 48.3 | O5_10—C9_10—C10_10—O1_10 | −47.0 |
O7_4—Mg4_4—O1_4—C10_4 | 64.8 (4) | O6_8—Mg8_8—O1_8—C10_8 | 116.5 (4) |
O6_4—Mg4_4—O1_4—C10_4 | −113.4 (4) | O7_8—Mg8_8—O1_8—C10_8 | −62.2 (4) |
O5_4—Mg4_4—O1_4—C10_4 | −23.8 (4) | O5_8—Mg8_8—O1_8—C10_8 | 27.5 (3) |
O2_4—Mg4_4—O1_4—C10_4 | 149.9 (4) | O2_8—Mg8_8—O1_8—C10_8 | −146.8 (4) |
O3_4—Mg4_4—O1_4—C10_4 | 164.2 (4) | O3_8—Mg8_8—O1_8—C10_8 | −162.9 (4) |
O4_4—Mg4_4—O1_4—C10_4 | −22.6 (5) | O4_8—Mg8_8—O1_8—C10_8 | 28.0 (5) |
O7_4—Mg4_4—O1_4—C1_4 | −68.1 (4) | O6_8—Mg8_8—O1_8—C1_8 | −115.7 (4) |
O6_4—Mg4_4—O1_4—C1_4 | 113.7 (4) | O7_8—Mg8_8—O1_8—C1_8 | 65.6 (4) |
O5_4—Mg4_4—O1_4—C1_4 | −156.7 (4) | O5_8—Mg8_8—O1_8—C1_8 | 155.3 (4) |
O2_4—Mg4_4—O1_4—C1_4 | 17.0 (4) | O2_8—Mg8_8—O1_8—C1_8 | −19.0 (3) |
O3_4—Mg4_4—O1_4—C1_4 | 31.3 (5) | O3_8—Mg8_8—O1_8—C1_8 | −35.1 (5) |
O4_4—Mg4_4—O1_4—C1_4 | −155.4 (4) | O4_8—Mg8_8—O1_8—C1_8 | 155.8 (4) |
O7_4—Mg4_4—O2_4—C2_4 | 106.5 (4) | O6_8—Mg8_8—O2_8—C2_8 | 72.6 (4) |
O6_4—Mg4_4—O2_4—C2_4 | −74.1 (4) | O7_8—Mg8_8—O2_8—C2_8 | −105.8 (4) |
O5_4—Mg4_4—O2_4—C2_4 | 24.3 (5) | O5_8—Mg8_8—O2_8—C2_8 | −22.2 (6) |
O3_4—Mg4_4—O2_4—C2_4 | −157.2 (4) | O3_8—Mg8_8—O2_8—C2_8 | 156.9 (4) |
O1_4—Mg4_4—O2_4—C2_4 | 14.0 (4) | O4_8—Mg8_8—O2_8—C2_8 | 172.4 (4) |
O4_4—Mg4_4—O2_4—C2_4 | −173.4 (4) | O1_8—Mg8_8—O2_8—C2_8 | −13.1 (4) |
O7_4—Mg4_4—O2_4—C3_4 | −113.1 (4) | O6_8—Mg8_8—O2_8—C3_8 | −69.5 (4) |
O6_4—Mg4_4—O2_4—C3_4 | 66.4 (4) | O7_8—Mg8_8—O2_8—C3_8 | 112.1 (4) |
O5_4—Mg4_4—O2_4—C3_4 | 164.7 (4) | O5_8—Mg8_8—O2_8—C3_8 | −164.3 (4) |
O3_4—Mg4_4—O2_4—C3_4 | −16.7 (4) | O3_8—Mg8_8—O2_8—C3_8 | 14.7 (4) |
O1_4—Mg4_4—O2_4—C3_4 | 154.4 (4) | O4_8—Mg8_8—O2_8—C3_8 | 30.3 (5) |
O4_4—Mg4_4—O2_4—C3_4 | −33.0 (5) | O1_8—Mg8_8—O2_8—C3_8 | −155.2 (4) |
O7_4—Mg4_4—O3_4—C5_4 | −69.1 (4) | O6_8—Mg8_8—O3_8—C4_8 | 114.1 (4) |
O6_4—Mg4_4—O3_4—C5_4 | 108.7 (4) | O7_8—Mg8_8—O3_8—C4_8 | −66.2 (4) |
O5_4—Mg4_4—O3_4—C5_4 | 25.5 (6) | O5_8—Mg8_8—O3_8—C4_8 | −164.0 (4) |
O2_4—Mg4_4—O3_4—C5_4 | −153.0 (4) | O2_8—Mg8_8—O3_8—C4_8 | 16.9 (4) |
O1_4—Mg4_4—O3_4—C5_4 | −167.4 (4) | O4_8—Mg8_8—O3_8—C4_8 | −153.8 (4) |
O4_4—Mg4_4—O3_4—C5_4 | 16.8 (4) | O1_8—Mg8_8—O3_8—C4_8 | 33.1 (5) |
O7_4—Mg4_4—O3_4—C4_4 | 68.0 (4) | O6_8—Mg8_8—O3_8—C5_8 | −111.4 (4) |
O6_4—Mg4_4—O3_4—C4_4 | −114.1 (4) | O7_8—Mg8_8—O3_8—C5_8 | 68.4 (4) |
O5_4—Mg4_4—O3_4—C4_4 | 162.7 (4) | O5_8—Mg8_8—O3_8—C5_8 | −29.4 (6) |
O2_4—Mg4_4—O3_4—C4_4 | −15.9 (3) | O2_8—Mg8_8—O3_8—C5_8 | 151.5 (4) |
O1_4—Mg4_4—O3_4—C4_4 | −30.3 (5) | O4_8—Mg8_8—O3_8—C5_8 | −19.2 (4) |
O4_4—Mg4_4—O3_4—C4_4 | 153.9 (4) | O1_8—Mg8_8—O3_8—C5_8 | 167.6 (4) |
O7_4—Mg4_4—O4_4—C6_4 | 109.6 (4) | O6_8—Mg8_8—O4_8—C7_8 | −60.8 (4) |
O6_4—Mg4_4—O4_4—C6_4 | −71.2 (4) | O7_8—Mg8_8—O4_8—C7_8 | 117.5 (4) |
O5_4—Mg4_4—O4_4—C6_4 | −160.7 (5) | O5_8—Mg8_8—O4_8—C7_8 | 27.2 (4) |
O2_4—Mg4_4—O4_4—C6_4 | 30.1 (6) | O2_8—Mg8_8—O4_8—C7_8 | −161.9 (4) |
O3_4—Mg4_4—O4_4—C6_4 | 13.8 (4) | O3_8—Mg8_8—O4_8—C7_8 | −146.6 (4) |
O1_4—Mg4_4—O4_4—C6_4 | −161.9 (4) | O1_8—Mg8_8—O4_8—C7_8 | 26.7 (5) |
O7_4—Mg4_4—O4_4—C7_4 | −117.3 (4) | O6_8—Mg8_8—O4_8—C6_8 | 71.9 (4) |
O6_4—Mg4_4—O4_4—C7_4 | 61.9 (4) | O7_8—Mg8_8—O4_8—C6_8 | −109.8 (4) |
O5_4—Mg4_4—O4_4—C7_4 | −27.6 (4) | O5_8—Mg8_8—O4_8—C6_8 | 159.9 (4) |
O2_4—Mg4_4—O4_4—C7_4 | 163.2 (4) | O2_8—Mg8_8—O4_8—C6_8 | −29.3 (6) |
O3_4—Mg4_4—O4_4—C7_4 | 147.0 (4) | O3_8—Mg8_8—O4_8—C6_8 | −13.9 (4) |
O1_4—Mg4_4—O4_4—C7_4 | −28.8 (5) | O1_8—Mg8_8—O4_8—C6_8 | 159.4 (4) |
O7_4—Mg4_4—O5_4—C9_4 | −95.8 (4) | O6_8—Mg8_8—O5_8—C9_8 | −86.5 (4) |
O6_4—Mg4_4—O5_4—C9_4 | 85.8 (4) | O7_8—Mg8_8—O5_8—C9_8 | 92.7 (4) |
O2_4—Mg4_4—O5_4—C9_4 | −14.8 (6) | O2_8—Mg8_8—O5_8—C9_8 | 10.8 (5) |
O3_4—Mg4_4—O5_4—C9_4 | 167.6 (4) | O3_8—Mg8_8—O5_8—C9_8 | −167.7 (4) |
O1_4—Mg4_4—O5_4—C9_4 | −4.4 (4) | O4_8—Mg8_8—O5_8—C9_8 | −178.1 (4) |
O4_4—Mg4_4—O5_4—C9_4 | 176.4 (4) | O1_8—Mg8_8—O5_8—C9_8 | 1.6 (4) |
O7_4—Mg4_4—O5_4—C8_4 | 89.7 (4) | O6_8—Mg8_8—O5_8—C8_8 | 90.3 (4) |
O6_4—Mg4_4—O5_4—C8_4 | −88.7 (4) | O7_8—Mg8_8—O5_8—C8_8 | −90.5 (5) |
O2_4—Mg4_4—O5_4—C8_4 | 170.7 (4) | O2_8—Mg8_8—O5_8—C8_8 | −172.4 (4) |
O3_4—Mg4_4—O5_4—C8_4 | −6.9 (6) | O3_8—Mg8_8—O5_8—C8_8 | 9.1 (6) |
O1_4—Mg4_4—O5_4—C8_4 | −178.9 (5) | O4_8—Mg8_8—O5_8—C8_8 | −1.3 (4) |
O4_4—Mg4_4—O5_4—C8_4 | 1.9 (4) | O1_8—Mg8_8—O5_8—C8_8 | 178.4 (5) |
C10_4—O1_4—C1_4—C2_4 | −175.2 (5) | C10_8—O1_8—C1_8—C2_8 | 174.0 (5) |
Mg4_4—O1_4—C1_4—C2_4 | −42.5 (6) | Mg8_8—O1_8—C1_8—C2_8 | 45.9 (5) |
C3_4—O2_4—C2_4—C1_4 | 179.0 (5) | C3_8—O2_8—C2_8—C1_8 | −177.1 (5) |
Mg4_4—O2_4—C2_4—C1_4 | −40.2 (6) | Mg8_8—O2_8—C2_8—C1_8 | 40.4 (6) |
O1_4—C1_4—C2_4—O2_4 | 51.9 (7) | O1_8—C1_8—C2_8—O2_8 | −53.9 (7) |
C2_4—O2_4—C3_4—C4_4 | −175.4 (5) | C2_8—O2_8—C3_8—C4_8 | 175.1 (5) |
Mg4_4—O2_4—C3_4—C4_4 | 43.6 (6) | Mg8_8—O2_8—C3_8—C4_8 | −41.6 (6) |
C5_4—O3_4—C4_4—C3_4 | −178.6 (5) | C5_8—O3_8—C4_8—C3_8 | −177.2 (5) |
Mg4_4—O3_4—C4_4—C3_4 | 43.1 (5) | Mg8_8—O3_8—C4_8—C3_8 | −43.2 (5) |
O2_4—C3_4—C4_4—O3_4 | −53.6 (6) | O2_8—C3_8—C4_8—O3_8 | 52.4 (6) |
C4_4—O3_4—C5_4—C6_4 | 179.9 (5) | C4_8—O3_8—C5_8—C6_8 | −177.8 (5) |
Mg4_4—O3_4—C5_4—C6_4 | −42.3 (6) | Mg8_8—O3_8—C5_8—C6_8 | 46.9 (6) |
C7_4—O4_4—C6_4—C5_4 | −172.0 (5) | C7_8—O4_8—C6_8—C5_8 | 174.8 (5) |
Mg4_4—O4_4—C6_4—C5_4 | −39.7 (6) | Mg8_8—O4_8—C6_8—C5_8 | 42.2 (6) |
O3_4—C5_4—C6_4—O4_4 | 51.2 (7) | O3_8—C5_8—C6_8—O4_8 | −56.7 (6) |
C6_4—O4_4—C7_4—C8_4 | −179.0 (5) | C6_8—O4_8—C7_8—C8_8 | 179.9 (5) |
Mg4_4—O4_4—C7_4—C8_4 | 47.4 (6) | Mg8_8—O4_8—C7_8—C8_8 | −47.3 (6) |
C9_4—O5_4—C8_4—C7_4 | −152.8 (5) | C9_8—O5_8—C8_8—C7_8 | 154.7 (5) |
Mg4_4—O5_4—C8_4—C7_4 | 22.0 (7) | Mg8_8—O5_8—C8_8—C7_8 | −22.2 (7) |
O4_4—C7_4—C8_4—O5_4 | −43.1 (7) | O4_8—C7_8—C8_8—O5_8 | 42.7 (7) |
C8_4—O5_4—C9_4—C10_4 | −155.8 (5) | C8_8—O5_8—C9_8—C10_8 | 155.2 (5) |
Mg4_4—O5_4—C9_4—C10_4 | 29.3 (6) | Mg8_8—O5_8—C9_8—C10_8 | −27.8 (6) |
C1_4—O1_4—C10_4—C9_4 | 178.8 (5) | C1_8—O1_8—C10_8—C9_8 | −177.4 (5) |
Mg4_4—O1_4—C10_4—C9_4 | 45.6 (5) | Mg8_8—O1_8—C10_8—C9_8 | −49.3 (5) |
O5_4—C9_4—C10_4—O1_4 | −46.2 (6) | O5_8—C9_8—C10_8—O1_8 | 47.7 (6) |
D—H···A | D—H | H···A | D···A | D—H···A |
O6_1—H1W_1···O9_11 | 0.81 (1) | 2.37 (4) | 2.996 (6) | 135 (5) |
O6_1—H1W_1···O8_11 | 0.81 (1) | 2.23 (2) | 2.988 (7) | 155 (5) |
O6_1—H2W_1···O9_21i | 0.81 (1) | 1.99 (2) | 2.738 (6) | 153 (5) |
O6_1—H2W_1···O10_21i | 0.81 (1) | 2.63 (2) | 3.376 (7) | 155 (4) |
O7_1—H3W_1···O9_14ii | 0.81 (1) | 2.07 (2) | 2.866 (7) | 165 (5) |
O7_1—H3W_1···O10_14ii | 0.81 (1) | 2.65 (4) | 3.167 (7) | 123 (4) |
O7_1—H4W_1···O8_19 | 0.81 (1) | 2.02 (2) | 2.771 (6) | 155 (5) |
O6_2—H1W_2···O9_13ii | 0.82 (1) | 2.09 (2) | 2.874 (6) | 161 (5) |
O6_2—H1W_2···O10_13ii | 0.82 (1) | 2.52 (3) | 3.204 (7) | 142 (4) |
O6_2—H2W_2···O8_20 | 0.82 (1) | 2.21 (2) | 2.982 (7) | 159 (5) |
O6_2—H2W_2···O9_20 | 0.82 (1) | 2.36 (3) | 3.070 (6) | 145 (5) |
O7_2—H3W_2···O9_20i | 0.81 (1) | 1.96 (1) | 2.764 (7) | 169 (5) |
O7_2—H4W_2···O8_12 | 0.81 (1) | 1.96 (1) | 2.764 (6) | 174 (5) |
O7_2—H4W_2···O9_12 | 0.81 (1) | 2.72 (5) | 3.260 (6) | 126 (5) |
O6_3—H1W_3···O9_19i | 0.82 (1) | 1.99 (2) | 2.788 (6) | 164 (5) |
O6_3—H2W_3···O8_13 | 0.81 (1) | 2.07 (2) | 2.857 (7) | 162 (6) |
O6_3—H2W_3···O9_13 | 0.81 (1) | 2.43 (4) | 3.083 (6) | 138 (5) |
O7_3—H3W_3···O9_12ii | 0.81 (1) | 2.04 (3) | 2.774 (6) | 150 (5) |
O7_3—H3W_3···O10_12ii | 0.81 (1) | 2.58 (3) | 3.269 (7) | 144 (4) |
O7_3—H4W_3···O8_21 | 0.81 (1) | 2.02 (2) | 2.804 (6) | 161 (6) |
O7_3—H4W_3···O9_21 | 0.81 (1) | 2.63 (3) | 3.331 (6) | 145 (5) |
O6_4—H1W_4···O9_26iii | 0.82 (1) | 1.96 (2) | 2.742 (6) | 160 (5) |
O6_4—H1W_4···O10_26iii | 0.82 (1) | 2.60 (3) | 3.290 (7) | 144 (5) |
O6_4—H2W_4···O8_14 | 0.82 (1) | 2.26 (3) | 2.913 (7) | 136 (4) |
O6_4—H2W_4···O9_14 | 0.82 (1) | 2.25 (3) | 2.993 (6) | 151 (4) |
O7_4—H3W_4···O9_11ii | 0.82 (1) | 2.09 (2) | 2.889 (7) | 168 (5) |
O7_4—H3W_4···O10_11ii | 0.82 (1) | 2.62 (4) | 3.224 (7) | 133 (4) |
O7_4—H4W_4···O8_22 | 0.81 (1) | 1.99 (1) | 2.793 (6) | 174 (5) |
O6_5—H1W_5···O8_23 | 0.81 (1) | 2.27 (3) | 2.950 (7) | 142 (5) |
O6_5—H1W_5···O9_23 | 0.81 (1) | 2.34 (2) | 3.103 (6) | 157 (5) |
O6_5—H2W_5···O9_18iv | 0.82 (1) | 2.00 (2) | 2.800 (6) | 166 (5) |
O7_5—H3W_5···O9_25iii | 0.82 (1) | 2.02 (2) | 2.800 (7) | 160 (5) |
O7_5—H3W_5···O10_25iii | 0.82 (1) | 2.54 (4) | 3.151 (7) | 132 (4) |
O7_5—H4W_5···O8_15 | 0.81 (1) | 1.95 (1) | 2.761 (6) | 171 (5) |
O7_5—H4W_5···O9_15 | 0.81 (1) | 2.68 (4) | 3.250 (6) | 129 (5) |
O6_6—H1W_6···O8_16 | 0.82 (1) | 2.12 (2) | 2.924 (7) | 167 (5) |
O6_6—H1W_6···O9_16 | 0.82 (1) | 2.40 (4) | 3.029 (6) | 135 (5) |
O6_6—H2W_6···O9_24iii | 0.82 (1) | 2.03 (3) | 2.769 (6) | 150 (5) |
O7_6—H3W_6···O8_24 | 0.82 (1) | 1.98 (2) | 2.759 (6) | 160 (5) |
O7_6—H4W_6···O9_17iv | 0.82 (1) | 1.99 (2) | 2.786 (7) | 162 (5) |
O7_6—H4W_6···O10_17iv | 0.82 (1) | 2.66 (4) | 3.231 (7) | 128 (4) |
O6_7—H1W_7···O9_16iv | 0.82 (1) | 2.10 (2) | 2.886 (6) | 161 (5) |
O6_7—H1W_7···O10_16iv | 0.82 (1) | 2.60 (3) | 3.225 (7) | 134 (4) |
O6_7—H2W_7···O8_25 | 0.82 (1) | 2.16 (1) | 2.967 (6) | 172 (5) |
O6_7—H2W_7···O9_25 | 0.82 (1) | 2.46 (4) | 3.084 (6) | 134 (4) |
O7_7—H3W_7···O9_23iii | 0.82 (1) | 1.99 (2) | 2.752 (7) | 156 (4) |
O7_7—H3W_7···O10_23iii | 0.82 (1) | 2.50 (3) | 3.192 (7) | 143 (5) |
O7_7—H4W_7···O8_17 | 0.82 (1) | 2.02 (2) | 2.786 (6) | 155 (5) |
O7_7—H4W_7···O9_17 | 0.82 (1) | 2.51 (4) | 3.176 (6) | 139 (5) |
O6_8—H1W_8···O9_15iv | 0.82 (1) | 2.04 (2) | 2.807 (6) | 156 (5) |
O6_8—H2W_8···O8_26 | 0.82 (1) | 2.16 (3) | 2.872 (7) | 145 (5) |
O6_8—H2W_8···O9_26 | 0.82 (1) | 2.43 (2) | 3.208 (6) | 159 (5) |
O7_8—H3W_8···O9_22iii | 0.82 (1) | 1.96 (1) | 2.771 (7) | 170 (5) |
O7_8—H4W_8···O8_18 | 0.81 (1) | 1.95 (1) | 2.740 (6) | 165 (5) |
O7_8—H4W_8···O9_18 | 0.81 (1) | 2.71 (4) | 3.234 (6) | 124 (4) |
Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) −x+1/2, y−1/2, −z+1/2; (iii) −x+1/2, y+1/2, −z+3/2; (iv) −x+1/2, y−1/2, −z+3/2. |
C10H24O7Zn2+·2(NO3−) | F(000) = 7424 |
Mr = 445.68 | Dx = 1.648 Mg m−3 |
Monoclinic, B21 | Cu Kα radiation, λ = 1.54178 Å |
a = 14.737 (2) Å | Cell parameters from 8519 reflections |
b = 14.050 (2) Å | θ = 4.1–68.3° |
c = 69.935 (5) Å | µ = 2.56 mm−1 |
β = 96.99 (2)° | T = 313 K |
V = 14373 (3) Å3 | Block, colorless |
Z = 32 | 0.30 × 0.15 × 0.12 mm |
Bruker-Nonius X8 Proteum diffractometer | 25529 independent reflections |
Radiation source: fine-focus rotating anode | 12218 reflections with I > 2σ(I) |
Graded multi-layer optics monochromator | Rint = 0.046 |
Detector resolution: 18 pixels mm-1 | θmax = 68.3°, θmin = 1.3° |
ω and φ scans | h = −16→17 |
Absorption correction: multi-scan SADABS in APEX2 (Bruker-Nonius, 2004) | k = −16→16 |
Tmin = 0.514, Tmax = 0.749 | l = −83→83 |
91322 measured reflections |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.055 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.189 | w = 1/[σ2(Fo2) + (0.050P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.46 | (Δ/σ)max = 0.002 |
25529 reflections | Δρmax = 0.64 e Å−3 |
892 parameters | Δρmin = −0.46 e Å−3 |
3244 restraints | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.000049 (3) |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
O6_1 | 0.1808 (4) | 0.6748 (4) | 0.08070 (7) | 0.0602 (3) | |
H1W_1 | 0.141 (3) | 0.671 (5) | 0.0714 (6) | 0.090* | |
H2W_1 | 0.162 (4) | 0.714 (4) | 0.0878 (7) | 0.090* | |
O7_1 | 0.3119 (4) | 0.4397 (4) | 0.10216 (7) | 0.0610 (3) | |
H3W_1 | 0.312 (4) | 0.388 (2) | 0.0970 (8) | 0.092* | |
H4W_1 | 0.315 (5) | 0.431 (4) | 0.11376 (19) | 0.092* | |
Zn1_1 | 0.24537 (6) | 0.55483 (8) | 0.091118 (11) | 0.03835 (10) | |
O1_1 | 0.1259 (2) | 0.5232 (3) | 0.10725 (6) | 0.0472 (2) | |
O2_1 | 0.1594 (3) | 0.4507 (4) | 0.07371 (6) | 0.0504 (2) | |
O3_1 | 0.2969 (3) | 0.5458 (4) | 0.06248 (5) | 0.0521 (3) | |
O4_1 | 0.3824 (3) | 0.6297 (4) | 0.09395 (6) | 0.0589 (3) | |
O5_1 | 0.2684 (3) | 0.6214 (4) | 0.11884 (6) | 0.0516 (2) | |
C1_1 | 0.0779 (5) | 0.4367 (6) | 0.10060 (10) | 0.0642 (4) | |
H11_1 | 0.0182 | 0.4343 | 0.1051 | 0.077* | |
H12_1 | 0.1124 | 0.3810 | 0.1054 | 0.077* | |
C2_1 | 0.0687 (4) | 0.4402 (7) | 0.07904 (10) | 0.0658 (4) | |
H21_1 | 0.0409 | 0.3821 | 0.0736 | 0.079* | |
H22_1 | 0.0308 | 0.4936 | 0.0743 | 0.079* | |
C3_1 | 0.1635 (4) | 0.4566 (6) | 0.05355 (8) | 0.0574 (4) | |
H31_1 | 0.1307 | 0.5122 | 0.0482 | 0.069* | |
H32_1 | 0.1370 | 0.4004 | 0.0471 | 0.069* | |
C4_1 | 0.2639 (4) | 0.4641 (5) | 0.05129 (9) | 0.0547 (4) | |
H41_1 | 0.2962 | 0.4070 | 0.0561 | 0.066* | |
H42_1 | 0.2723 | 0.4727 | 0.0379 | 0.066* | |
C5_1 | 0.3938 (4) | 0.5600 (7) | 0.06348 (9) | 0.0705 (5) | |
H51_1 | 0.4114 | 0.5708 | 0.0507 | 0.085* | |
H52_1 | 0.4266 | 0.5049 | 0.0691 | 0.085* | |
C6_1 | 0.4142 (5) | 0.6454 (6) | 0.07588 (10) | 0.0750 (5) | |
H61_1 | 0.4796 | 0.6571 | 0.0777 | 0.090* | |
H62_1 | 0.3843 | 0.7009 | 0.0697 | 0.090* | |
C7_1 | 0.3847 (5) | 0.7089 (6) | 0.10665 (10) | 0.0682 (4) | |
H71_1 | 0.3495 | 0.7611 | 0.1004 | 0.082* | |
H72_1 | 0.4472 | 0.7302 | 0.1100 | 0.082* | |
C8_1 | 0.3455 (5) | 0.6794 (6) | 0.12420 (9) | 0.0649 (4) | |
H81_1 | 0.3908 | 0.6443 | 0.1327 | 0.078* | |
H82_1 | 0.3278 | 0.7351 | 0.1311 | 0.078* | |
C9_1 | 0.2007 (4) | 0.6159 (5) | 0.13191 (9) | 0.0519 (3) | |
H91_1 | 0.1595 | 0.6699 | 0.1301 | 0.062* | |
H92_1 | 0.2297 | 0.6163 | 0.1451 | 0.062* | |
C10_1 | 0.1500 (4) | 0.5269 (6) | 0.12782 (8) | 0.0554 (4) | |
H101_1 | 0.1877 | 0.4727 | 0.1322 | 0.066* | |
H102_1 | 0.0954 | 0.5262 | 0.1343 | 0.066* | |
O6_2 | 0.3231 (4) | 0.4408 (4) | 0.23153 (7) | 0.0602 (3) | |
H1W_2 | 0.339 (4) | 0.396 (3) | 0.2252 (7) | 0.090* | |
H2W_2 | 0.312 (4) | 0.418 (4) | 0.2418 (4) | 0.090* | |
O7_2 | 0.1885 (4) | 0.6699 (4) | 0.20965 (7) | 0.0610 (3) | |
H3W_2 | 0.169 (4) | 0.710 (4) | 0.2164 (8) | 0.092* | |
H4W_2 | 0.154 (3) | 0.662 (5) | 0.1999 (5) | 0.092* | |
Zn2_2 | 0.25519 (6) | 0.55332 (8) | 0.220863 (11) | 0.03835 (10) | |
O1_2 | 0.3785 (3) | 0.5850 (3) | 0.20454 (6) | 0.0472 (2) | |
O2_2 | 0.3418 (3) | 0.6582 (4) | 0.23820 (6) | 0.0504 (2) | |
O3_2 | 0.2048 (3) | 0.5619 (4) | 0.24948 (5) | 0.0521 (3) | |
O4_2 | 0.1193 (3) | 0.4763 (4) | 0.21803 (6) | 0.0589 (3) | |
O5_2 | 0.2328 (3) | 0.4864 (4) | 0.19306 (6) | 0.0516 (2) | |
C1_2 | 0.4204 (5) | 0.6722 (6) | 0.21124 (10) | 0.0642 (4) | |
H11_2 | 0.3825 | 0.7257 | 0.2066 | 0.077* | |
H12_2 | 0.4797 | 0.6789 | 0.2067 | 0.077* | |
C2_2 | 0.4309 (4) | 0.6687 (7) | 0.23289 (10) | 0.0658 (4) | |
H21_2 | 0.4691 | 0.6154 | 0.2376 | 0.079* | |
H22_2 | 0.4587 | 0.7269 | 0.2383 | 0.079* | |
C3_2 | 0.3353 (4) | 0.6547 (6) | 0.25841 (8) | 0.0574 (4) | |
H31_2 | 0.3588 | 0.7130 | 0.2646 | 0.069* | |
H32_2 | 0.3701 | 0.6015 | 0.2643 | 0.069* | |
C4_2 | 0.2356 (4) | 0.6432 (5) | 0.26052 (9) | 0.0547 (4) | |
H41_2 | 0.2274 | 0.6340 | 0.2739 | 0.066* | |
H42_2 | 0.2017 | 0.6992 | 0.2558 | 0.066* | |
C5_2 | 0.1099 (4) | 0.5422 (7) | 0.24847 (10) | 0.0705 (5) | |
H51_2 | 0.0747 | 0.5954 | 0.2427 | 0.085* | |
H52_2 | 0.0930 | 0.5321 | 0.2613 | 0.085* | |
C6_2 | 0.0910 (5) | 0.4552 (7) | 0.23660 (10) | 0.0750 (5) | |
H61_2 | 0.1252 | 0.4015 | 0.2425 | 0.090* | |
H62_2 | 0.0264 | 0.4398 | 0.2353 | 0.090* | |
C7_2 | 0.1210 (5) | 0.3972 (6) | 0.20542 (10) | 0.0682 (4) | |
H71_2 | 0.0601 | 0.3707 | 0.2026 | 0.082* | |
H72_2 | 0.1611 | 0.3481 | 0.2114 | 0.082* | |
C8_2 | 0.1545 (5) | 0.4304 (6) | 0.18744 (10) | 0.0649 (4) | |
H81_2 | 0.1700 | 0.3766 | 0.1798 | 0.078* | |
H82_2 | 0.1079 | 0.4679 | 0.1799 | 0.078* | |
C9_2 | 0.3000 (4) | 0.4898 (6) | 0.18046 (9) | 0.0519 (3) | |
H91_2 | 0.2719 | 0.4874 | 0.1672 | 0.062* | |
H92_2 | 0.3415 | 0.4364 | 0.1828 | 0.062* | |
C10_2 | 0.3506 (4) | 0.5824 (6) | 0.18438 (8) | 0.0554 (4) | |
H101_2 | 0.4033 | 0.5850 | 0.1773 | 0.066* | |
H102_2 | 0.3110 | 0.6359 | 0.1805 | 0.066* | |
O6_3 | 0.1877 (4) | 0.6758 (4) | 0.33239 (7) | 0.0602 (3) | |
H1W_3 | 0.179 (4) | 0.720 (3) | 0.3395 (7) | 0.090* | |
H2W_3 | 0.151 (3) | 0.678 (5) | 0.3228 (5) | 0.090* | |
O7_3 | 0.3072 (4) | 0.4355 (4) | 0.35382 (7) | 0.0610 (3) | |
H3W_3 | 0.333 (4) | 0.393 (4) | 0.3486 (8) | 0.092* | |
H4W_3 | 0.321 (4) | 0.429 (5) | 0.36541 (19) | 0.092* | |
Zn3_3 | 0.24698 (9) | 0.55410 (13) | 0.34239 (2) | 0.03835 (10) | 0.738 (2) |
O1_3 | 0.1233 (3) | 0.5277 (4) | 0.35800 (6) | 0.0472 (2) | 0.738 (2) |
O2_3 | 0.1598 (3) | 0.4509 (4) | 0.32478 (7) | 0.0504 (2) | 0.738 (2) |
O3_3 | 0.3007 (3) | 0.5436 (5) | 0.31397 (6) | 0.0521 (3) | 0.738 (2) |
O4_3 | 0.3870 (4) | 0.6236 (4) | 0.34621 (7) | 0.0589 (3) | 0.738 (2) |
O5_3 | 0.2710 (3) | 0.6171 (4) | 0.37081 (6) | 0.0516 (2) | 0.738 (2) |
C1_3 | 0.0759 (6) | 0.4428 (7) | 0.35092 (12) | 0.0642 (4) | 0.738 (2) |
H11_3 | 0.0155 | 0.4407 | 0.3551 | 0.077* | 0.738 (2) |
H12_3 | 0.1095 | 0.3867 | 0.3558 | 0.077* | 0.738 (2) |
C2_3 | 0.0685 (5) | 0.4459 (8) | 0.32938 (11) | 0.0658 (4) | 0.738 (2) |
H21_3 | 0.0384 | 0.3891 | 0.3238 | 0.079* | 0.738 (2) |
H22_3 | 0.0339 | 0.5012 | 0.3244 | 0.079* | 0.738 (2) |
C3_3 | 0.1656 (6) | 0.4538 (7) | 0.30450 (10) | 0.0574 (4) | 0.738 (2) |
H31_3 | 0.1318 | 0.5077 | 0.2986 | 0.069* | 0.738 (2) |
H32_3 | 0.1410 | 0.3959 | 0.2983 | 0.069* | 0.738 (2) |
C4_3 | 0.2655 (5) | 0.4632 (7) | 0.30263 (11) | 0.0547 (4) | 0.738 (2) |
H41_3 | 0.2977 | 0.4057 | 0.3072 | 0.066* | 0.738 (2) |
H42_3 | 0.2742 | 0.4727 | 0.2892 | 0.066* | 0.738 (2) |
C5_3 | 0.3968 (5) | 0.5548 (8) | 0.31549 (12) | 0.0705 (5) | 0.738 (2) |
H51_3 | 0.4160 | 0.5649 | 0.3029 | 0.085* | 0.738 (2) |
H52_3 | 0.4272 | 0.4985 | 0.3212 | 0.085* | 0.738 (2) |
C6_3 | 0.4198 (7) | 0.6394 (8) | 0.32805 (12) | 0.0750 (5) | 0.738 (2) |
H61_3 | 0.4855 | 0.6489 | 0.3299 | 0.090* | 0.738 (2) |
H62_3 | 0.3916 | 0.6960 | 0.3220 | 0.090* | 0.738 (2) |
C7_3 | 0.3887 (7) | 0.7037 (7) | 0.35859 (12) | 0.0682 (4) | 0.738 (2) |
H71_3 | 0.3528 | 0.7551 | 0.3523 | 0.082* | 0.738 (2) |
H72_3 | 0.4510 | 0.7259 | 0.3618 | 0.082* | 0.738 (2) |
C8_3 | 0.3504 (6) | 0.6745 (8) | 0.37610 (12) | 0.0649 (4) | 0.738 (2) |
H81_3 | 0.3955 | 0.6385 | 0.3844 | 0.078* | 0.738 (2) |
H82_3 | 0.3340 | 0.7302 | 0.3831 | 0.078* | 0.738 (2) |
C9_3 | 0.2008 (5) | 0.6170 (7) | 0.38307 (11) | 0.0519 (3) | 0.738 (2) |
H91_3 | 0.1622 | 0.6727 | 0.3807 | 0.062* | 0.738 (2) |
H92_3 | 0.2270 | 0.6174 | 0.3965 | 0.062* | 0.738 (2) |
C10_3 | 0.1465 (6) | 0.5281 (6) | 0.37854 (10) | 0.0554 (4) | 0.738 (2) |
H101_3 | 0.1824 | 0.4724 | 0.3827 | 0.066* | 0.738 (2) |
H102_3 | 0.0917 | 0.5285 | 0.3849 | 0.066* | 0.738 (2) |
Zn9_9 | 0.2500 (2) | 0.5530 (3) | 0.34526 (4) | 0.03835 (10) | 0.262 (2) |
O1_9 | 0.3727 (3) | 0.5796 (5) | 0.33017 (7) | 0.0472 (2) | 0.262 (2) |
O2_9 | 0.3409 (4) | 0.6485 (5) | 0.36294 (7) | 0.0504 (2) | 0.262 (2) |
O3_9 | 0.1958 (4) | 0.5675 (5) | 0.37309 (5) | 0.0521 (3) | 0.262 (2) |
O4_9 | 0.1122 (3) | 0.4841 (5) | 0.34257 (8) | 0.0589 (3) | 0.262 (2) |
O5_9 | 0.2269 (4) | 0.4874 (5) | 0.31820 (5) | 0.0516 (2) | 0.262 (2) |
C1_9 | 0.4239 (4) | 0.6611 (6) | 0.33672 (10) | 0.0642 (4) | 0.262 (2) |
H1A_9 | 0.3917 | 0.7180 | 0.3319 | 0.077* | 0.262 (2) |
H1B_9 | 0.4842 | 0.6602 | 0.3322 | 0.077* | 0.262 (2) |
C2_9 | 0.4335 (4) | 0.6592 (7) | 0.35774 (10) | 0.0658 (4) | 0.262 (2) |
H2A_9 | 0.4721 | 0.6065 | 0.3626 | 0.079* | 0.262 (2) |
H2B_9 | 0.4611 | 0.7174 | 0.3630 | 0.079* | 0.262 (2) |
C3_9 | 0.3325 (5) | 0.6480 (7) | 0.38309 (7) | 0.0574 (4) | 0.262 (2) |
H3A_9 | 0.3602 | 0.7043 | 0.3892 | 0.069* | 0.262 (2) |
H3B_9 | 0.3628 | 0.5928 | 0.3892 | 0.069* | 0.262 (2) |
C4_9 | 0.2317 (6) | 0.6456 (7) | 0.38450 (7) | 0.0547 (4) | 0.262 (2) |
H4A_9 | 0.2205 | 0.6373 | 0.3977 | 0.066* | 0.262 (2) |
H4B_9 | 0.2027 | 0.7041 | 0.3797 | 0.066* | 0.262 (2) |
C5_9 | 0.1009 (4) | 0.5555 (7) | 0.37247 (9) | 0.0705 (5) | 0.262 (2) |
H5A_9 | 0.0684 | 0.6107 | 0.3669 | 0.085* | 0.262 (2) |
H5B_9 | 0.0841 | 0.5462 | 0.3853 | 0.085* | 0.262 (2) |
C6_9 | 0.0765 (4) | 0.4683 (7) | 0.36011 (10) | 0.0750 (5) | 0.262 (2) |
H6A_9 | 0.1040 | 0.4121 | 0.3664 | 0.090* | 0.262 (2) |
H6B_9 | 0.0101 | 0.4599 | 0.3579 | 0.090* | 0.262 (2) |
C7_9 | 0.1070 (5) | 0.4061 (6) | 0.32940 (10) | 0.0682 (4) | 0.262 (2) |
H7A_9 | 0.0433 | 0.3865 | 0.3262 | 0.082* | 0.262 (2) |
H7B_9 | 0.1420 | 0.3529 | 0.3352 | 0.082* | 0.262 (2) |
C8_9 | 0.1444 (5) | 0.4357 (6) | 0.31226 (8) | 0.0649 (4) | 0.262 (2) |
H8A_9 | 0.1579 | 0.3811 | 0.3047 | 0.078* | 0.262 (2) |
H8B_9 | 0.1004 | 0.4754 | 0.3045 | 0.078* | 0.262 (2) |
C9_9 | 0.2962 (5) | 0.4884 (7) | 0.30554 (7) | 0.0519 (3) | 0.262 (2) |
H9A_9 | 0.2680 | 0.4873 | 0.2923 | 0.062* | 0.262 (2) |
H9B_9 | 0.3359 | 0.4334 | 0.3078 | 0.062* | 0.262 (2) |
C10_9 | 0.3511 (5) | 0.5772 (7) | 0.30952 (7) | 0.0554 (4) | 0.262 (2) |
H10A_9 | 0.4070 | 0.5754 | 0.3033 | 0.066* | 0.262 (2) |
H10B_9 | 0.3151 | 0.6322 | 0.3050 | 0.066* | 0.262 (2) |
O6_4 | 0.1787 (4) | 0.6742 (4) | 0.45647 (7) | 0.0602 (3) | |
H1W_4 | 0.147 (3) | 0.702 (4) | 0.4635 (7) | 0.090* | |
H2W_4 | 0.147 (3) | 0.668 (5) | 0.4461 (4) | 0.090* | |
O7_4 | 0.3161 (4) | 0.4444 (4) | 0.47854 (7) | 0.0610 (3) | |
H3W_4 | 0.324 (5) | 0.393 (2) | 0.4737 (9) | 0.092* | |
H4W_4 | 0.339 (4) | 0.444 (5) | 0.4897 (3) | 0.092* | |
Zn4_4 | 0.24614 (6) | 0.55535 (8) | 0.467320 (11) | 0.03835 (10) | |
O1_4 | 0.1272 (3) | 0.5213 (3) | 0.48330 (6) | 0.0472 (2) | |
O2_4 | 0.1620 (3) | 0.4479 (4) | 0.45026 (6) | 0.0504 (2) | |
O3_4 | 0.2970 (3) | 0.5469 (4) | 0.43863 (5) | 0.0521 (3) | |
O4_4 | 0.3809 (3) | 0.6345 (4) | 0.46959 (6) | 0.0589 (3) | |
O5_4 | 0.2684 (3) | 0.6222 (4) | 0.49484 (6) | 0.0516 (2) | |
C1_4 | 0.0813 (5) | 0.4344 (6) | 0.47689 (10) | 0.0642 (4) | |
H11_4 | 0.0215 | 0.4312 | 0.4813 | 0.077* | |
H12_4 | 0.1167 | 0.3796 | 0.4819 | 0.077* | |
C2_4 | 0.0724 (4) | 0.4360 (7) | 0.45529 (10) | 0.0658 (4) | |
H21_4 | 0.0460 | 0.3769 | 0.4500 | 0.079* | |
H22_4 | 0.0335 | 0.4883 | 0.4503 | 0.079* | |
C3_4 | 0.1672 (4) | 0.4538 (6) | 0.43000 (8) | 0.0574 (4) | |
H31_4 | 0.1329 | 0.5082 | 0.4245 | 0.069* | |
H32_4 | 0.1426 | 0.3966 | 0.4235 | 0.069* | |
C4_4 | 0.2673 (4) | 0.4645 (6) | 0.42793 (9) | 0.0547 (4) | |
H41_4 | 0.3012 | 0.4089 | 0.4330 | 0.066* | |
H42_4 | 0.2761 | 0.4721 | 0.4145 | 0.066* | |
C5_4 | 0.3919 (4) | 0.5679 (7) | 0.43900 (10) | 0.0705 (5) | |
H51_4 | 0.4065 | 0.5805 | 0.4261 | 0.085* | |
H52_4 | 0.4287 | 0.5148 | 0.4443 | 0.085* | |
C6_4 | 0.4096 (5) | 0.6535 (7) | 0.45134 (10) | 0.0750 (5) | |
H61_4 | 0.4743 | 0.6687 | 0.4528 | 0.090* | |
H62_4 | 0.3762 | 0.7075 | 0.4454 | 0.090* | |
C7_4 | 0.3819 (6) | 0.7130 (6) | 0.48219 (10) | 0.0682 (4) | |
H71_4 | 0.3444 | 0.7639 | 0.4761 | 0.082* | |
H72_4 | 0.4439 | 0.7366 | 0.4852 | 0.082* | |
C8_4 | 0.3458 (5) | 0.6825 (6) | 0.50014 (10) | 0.0649 (4) | |
H81_4 | 0.3925 | 0.6482 | 0.5084 | 0.078* | |
H82_4 | 0.3278 | 0.7377 | 0.5071 | 0.078* | |
C9_4 | 0.1999 (4) | 0.6182 (6) | 0.50763 (9) | 0.0519 (3) | |
H91_4 | 0.1581 | 0.6714 | 0.5053 | 0.062* | |
H92_4 | 0.2279 | 0.6207 | 0.5209 | 0.062* | |
C10_4 | 0.1502 (5) | 0.5264 (6) | 0.50375 (8) | 0.0554 (4) | |
H101_4 | 0.1888 | 0.4732 | 0.5083 | 0.066* | |
H102_4 | 0.0954 | 0.5251 | 0.5102 | 0.066* | |
O6_5 | 0.3207 (4) | 0.4381 (4) | 0.60671 (7) | 0.0602 (3) | |
H1W_5 | 0.314 (4) | 0.423 (4) | 0.6177 (3) | 0.090* | |
H2W_5 | 0.337 (4) | 0.391 (3) | 0.6013 (7) | 0.090* | |
O7_5 | 0.1935 (4) | 0.6727 (4) | 0.58506 (7) | 0.0610 (3) | |
H3W_5 | 0.168 (4) | 0.709 (4) | 0.5917 (8) | 0.092* | |
H4W_5 | 0.154 (3) | 0.653 (4) | 0.5768 (6) | 0.092* | |
Zn5_5 | 0.25629 (5) | 0.55471 (8) | 0.596288 (10) | 0.03835 (10) | |
O1_5 | 0.3798 (2) | 0.5842 (3) | 0.58019 (6) | 0.0472 (2) | |
O2_5 | 0.3440 (3) | 0.6575 (4) | 0.61364 (6) | 0.0504 (2) | |
O3_5 | 0.2043 (3) | 0.5642 (4) | 0.62472 (5) | 0.0521 (3) | |
O4_5 | 0.1178 (3) | 0.4805 (4) | 0.59272 (6) | 0.0589 (3) | |
O5_5 | 0.2332 (3) | 0.4886 (4) | 0.56844 (6) | 0.0516 (2) | |
C1_5 | 0.4252 (5) | 0.6692 (6) | 0.58707 (10) | 0.0642 (4) | |
H11_5 | 0.3898 | 0.7244 | 0.5823 | 0.077* | |
H12_5 | 0.4848 | 0.6730 | 0.5826 | 0.077* | |
C2_5 | 0.4352 (4) | 0.6667 (7) | 0.60869 (9) | 0.0658 (4) | |
H21_5 | 0.4725 | 0.6130 | 0.6136 | 0.079* | |
H22_5 | 0.4633 | 0.7248 | 0.6140 | 0.079* | |
C3_5 | 0.3373 (4) | 0.6521 (6) | 0.63411 (8) | 0.0574 (4) | |
H31_5 | 0.3629 | 0.7087 | 0.6406 | 0.069* | |
H32_5 | 0.3699 | 0.5969 | 0.6397 | 0.069* | |
C4_5 | 0.2371 (4) | 0.6442 (6) | 0.63597 (9) | 0.0547 (4) | |
H41_5 | 0.2277 | 0.6351 | 0.6493 | 0.066* | |
H42_5 | 0.2052 | 0.7015 | 0.6312 | 0.066* | |
C5_5 | 0.1074 (4) | 0.5501 (7) | 0.62297 (9) | 0.0705 (5) | |
H51_5 | 0.0760 | 0.6045 | 0.6167 | 0.085* | |
H52_5 | 0.0876 | 0.5424 | 0.6356 | 0.085* | |
C6_5 | 0.0863 (5) | 0.4636 (7) | 0.61133 (10) | 0.0750 (5) | |
H61_5 | 0.1174 | 0.4090 | 0.6176 | 0.090* | |
H62_5 | 0.0210 | 0.4514 | 0.6098 | 0.090* | |
C7_5 | 0.1173 (5) | 0.4022 (6) | 0.58040 (10) | 0.0682 (4) | |
H71_5 | 0.0553 | 0.3788 | 0.5772 | 0.082* | |
H72_5 | 0.1543 | 0.3513 | 0.5866 | 0.082* | |
C8_5 | 0.1547 (5) | 0.4323 (6) | 0.56268 (9) | 0.0649 (4) | |
H81_5 | 0.1710 | 0.3772 | 0.5555 | 0.078* | |
H82_5 | 0.1096 | 0.4691 | 0.5545 | 0.078* | |
C9_5 | 0.3016 (4) | 0.4908 (5) | 0.55597 (9) | 0.0519 (3) | |
H91_5 | 0.2743 | 0.4878 | 0.5426 | 0.062* | |
H92_5 | 0.3430 | 0.4374 | 0.5585 | 0.062* | |
C10_5 | 0.3519 (4) | 0.5834 (6) | 0.55991 (8) | 0.0554 (4) | |
H101_5 | 0.4046 | 0.5865 | 0.5529 | 0.066* | |
H102_5 | 0.3122 | 0.6370 | 0.5562 | 0.066* | |
O6_6 | 0.1864 (4) | 0.6757 (4) | 0.70626 (7) | 0.0602 (3) | |
H1W_6 | 0.152 (3) | 0.671 (5) | 0.6962 (5) | 0.090* | |
H2W_6 | 0.157 (4) | 0.708 (4) | 0.7131 (7) | 0.090* | |
O7_6 | 0.3093 (4) | 0.4361 (4) | 0.72773 (7) | 0.0610 (3) | |
H3W_6 | 0.327 (4) | 0.428 (4) | 0.7392 (3) | 0.092* | |
H4W_6 | 0.316 (5) | 0.385 (2) | 0.7225 (8) | 0.092* | |
Zn6_6 | 0.24672 (6) | 0.55358 (8) | 0.716570 (11) | 0.03835 (10) | |
O1_6 | 0.1246 (3) | 0.5251 (4) | 0.73216 (6) | 0.0472 (2) | |
O2_6 | 0.1597 (3) | 0.4516 (4) | 0.69876 (6) | 0.0504 (2) | |
O3_6 | 0.3003 (3) | 0.5437 (4) | 0.68805 (5) | 0.0521 (3) | |
O4_6 | 0.3860 (3) | 0.6243 (4) | 0.71988 (6) | 0.0589 (3) | |
O5_6 | 0.2696 (3) | 0.6195 (4) | 0.74450 (6) | 0.0516 (2) | |
C1_6 | 0.0771 (5) | 0.4396 (6) | 0.72531 (10) | 0.0642 (4) | |
H11_6 | 0.0169 | 0.4373 | 0.7296 | 0.077* | |
H12_6 | 0.1111 | 0.3837 | 0.7301 | 0.077* | |
C2_6 | 0.0692 (4) | 0.4432 (7) | 0.70399 (10) | 0.0658 (4) | |
H21_6 | 0.0404 | 0.3857 | 0.6985 | 0.079* | |
H22_6 | 0.0325 | 0.4974 | 0.6992 | 0.079* | |
C3_6 | 0.1664 (4) | 0.4563 (6) | 0.67872 (8) | 0.0574 (4) | |
H31_6 | 0.1343 | 0.5117 | 0.6731 | 0.069* | |
H32_6 | 0.1403 | 0.3998 | 0.6722 | 0.069* | |
C4_6 | 0.2659 (4) | 0.4630 (6) | 0.67694 (9) | 0.0547 (4) | |
H41_6 | 0.2971 | 0.4055 | 0.6818 | 0.066* | |
H42_6 | 0.2754 | 0.4711 | 0.6636 | 0.066* | |
C5_6 | 0.3964 (4) | 0.5564 (7) | 0.68934 (10) | 0.0705 (5) | |
H51_6 | 0.4147 | 0.5679 | 0.6767 | 0.085* | |
H52_6 | 0.4279 | 0.5002 | 0.6948 | 0.085* | |
C6_6 | 0.4190 (5) | 0.6404 (7) | 0.70210 (10) | 0.0750 (5) | |
H61_6 | 0.4846 | 0.6498 | 0.7041 | 0.090* | |
H62_6 | 0.3910 | 0.6972 | 0.6961 | 0.090* | |
C7_6 | 0.3878 (5) | 0.7045 (6) | 0.73258 (10) | 0.0682 (4) | |
H71_6 | 0.3521 | 0.7562 | 0.7264 | 0.082* | |
H72_6 | 0.4502 | 0.7264 | 0.7359 | 0.082* | |
C8_6 | 0.3492 (5) | 0.6746 (6) | 0.75009 (10) | 0.0649 (4) | |
H81_6 | 0.3937 | 0.6372 | 0.7582 | 0.078* | |
H82_6 | 0.3338 | 0.7301 | 0.7573 | 0.078* | |
C9_6 | 0.2001 (4) | 0.6161 (6) | 0.75713 (9) | 0.0519 (3) | |
H91_6 | 0.1603 | 0.6710 | 0.7551 | 0.062* | |
H92_6 | 0.2276 | 0.6160 | 0.7705 | 0.062* | |
C10_6 | 0.1472 (5) | 0.5271 (6) | 0.75271 (8) | 0.0554 (4) | |
H101_6 | 0.1836 | 0.4719 | 0.7571 | 0.066* | |
H102_6 | 0.0921 | 0.5272 | 0.7590 | 0.066* | |
O6_7 | 0.3209 (4) | 0.4439 (4) | 0.85543 (7) | 0.0602 (3) | |
H1W_7 | 0.318 (4) | 0.399 (3) | 0.8480 (6) | 0.090* | |
H2W_7 | 0.321 (4) | 0.421 (4) | 0.8662 (3) | 0.090* | |
O7_7 | 0.1817 (4) | 0.6712 (4) | 0.83348 (7) | 0.0610 (3) | |
H3W_7 | 0.159 (4) | 0.713 (4) | 0.8396 (8) | 0.092* | |
H4W_7 | 0.146 (3) | 0.661 (5) | 0.8238 (6) | 0.092* | |
Zn7_7 | 0.25142 (10) | 0.55458 (13) | 0.84518 (2) | 0.03835 (10) | 0.735 (2) |
O1_7 | 0.3744 (3) | 0.5843 (4) | 0.82902 (6) | 0.0472 (2) | 0.735 (2) |
O2_7 | 0.3364 (4) | 0.6602 (4) | 0.86229 (7) | 0.0504 (2) | 0.735 (2) |
O3_7 | 0.2015 (3) | 0.5614 (5) | 0.87367 (6) | 0.0521 (3) | 0.735 (2) |
O4_7 | 0.1169 (4) | 0.4743 (5) | 0.84245 (8) | 0.0589 (3) | 0.735 (2) |
O5_7 | 0.2289 (4) | 0.4874 (4) | 0.81715 (7) | 0.0516 (2) | 0.735 (2) |
C1_7 | 0.4166 (6) | 0.6717 (7) | 0.83564 (12) | 0.0642 (4) | 0.735 (2) |
H11_7 | 0.3790 | 0.7251 | 0.8308 | 0.077* | 0.735 (2) |
H12_7 | 0.4760 | 0.6778 | 0.8311 | 0.077* | 0.735 (2) |
C2_7 | 0.4271 (5) | 0.6706 (8) | 0.85726 (11) | 0.0658 (4) | 0.735 (2) |
H21_7 | 0.4653 | 0.6179 | 0.8622 | 0.079* | 0.735 (2) |
H22_7 | 0.4543 | 0.7295 | 0.8624 | 0.079* | 0.735 (2) |
C3_7 | 0.3306 (5) | 0.6590 (7) | 0.88256 (10) | 0.0574 (4) | 0.735 (2) |
H31_7 | 0.3523 | 0.7186 | 0.8884 | 0.069* | 0.735 (2) |
H32_7 | 0.3667 | 0.6073 | 0.8887 | 0.069* | 0.735 (2) |
C4_7 | 0.2304 (5) | 0.6449 (7) | 0.88431 (11) | 0.0547 (4) | 0.735 (2) |
H41_7 | 0.2213 | 0.6373 | 0.8977 | 0.066* | 0.735 (2) |
H42_7 | 0.1955 | 0.6996 | 0.8791 | 0.066* | 0.735 (2) |
C5_7 | 0.1085 (5) | 0.5401 (8) | 0.87339 (12) | 0.0705 (5) | 0.735 (2) |
H51_7 | 0.0713 | 0.5925 | 0.8678 | 0.085* | 0.735 (2) |
H52_7 | 0.0940 | 0.5290 | 0.8864 | 0.085* | 0.735 (2) |
C6_7 | 0.0905 (7) | 0.4519 (8) | 0.86133 (12) | 0.0750 (5) | 0.735 (2) |
H61_7 | 0.1263 | 0.3990 | 0.8671 | 0.090* | 0.735 (2) |
H62_7 | 0.0263 | 0.4349 | 0.8603 | 0.090* | 0.735 (2) |
C7_7 | 0.1196 (7) | 0.3949 (7) | 0.82974 (12) | 0.0682 (4) | 0.735 (2) |
H71_7 | 0.0590 | 0.3674 | 0.8269 | 0.082* | 0.735 (2) |
H72_7 | 0.1604 | 0.3463 | 0.8357 | 0.082* | 0.735 (2) |
C8_7 | 0.1522 (6) | 0.4289 (8) | 0.81194 (11) | 0.0649 (4) | 0.735 (2) |
H81_7 | 0.1690 | 0.3754 | 0.8043 | 0.078* | 0.735 (2) |
H82_7 | 0.1045 | 0.4647 | 0.8043 | 0.078* | 0.735 (2) |
C9_7 | 0.2988 (5) | 0.4901 (7) | 0.80488 (11) | 0.0519 (3) | 0.735 (2) |
H91_7 | 0.2724 | 0.4861 | 0.7915 | 0.062* | 0.735 (2) |
H92_7 | 0.3403 | 0.4369 | 0.8076 | 0.062* | 0.735 (2) |
C10_7 | 0.3489 (6) | 0.5816 (7) | 0.80848 (10) | 0.0554 (4) | 0.735 (2) |
H101_7 | 0.4026 | 0.5832 | 0.8017 | 0.066* | 0.735 (2) |
H102_7 | 0.3098 | 0.6351 | 0.8043 | 0.066* | 0.735 (2) |
Zn10_10 | 0.2465 (2) | 0.5528 (3) | 0.84259 (4) | 0.03835 (10) | 0.265 (2) |
O1_10 | 0.1293 (3) | 0.5149 (5) | 0.85890 (7) | 0.0472 (2) | 0.265 (2) |
O2_10 | 0.1633 (4) | 0.4486 (5) | 0.82565 (7) | 0.0504 (2) | 0.265 (2) |
O3_10 | 0.2978 (4) | 0.5442 (5) | 0.81464 (5) | 0.0521 (3) | 0.265 (2) |
O4_10 | 0.3780 (3) | 0.6334 (5) | 0.84486 (8) | 0.0589 (3) | 0.265 (2) |
O5_10 | 0.2664 (4) | 0.6202 (5) | 0.86976 (6) | 0.0516 (2) | 0.265 (2) |
C1_10 | 0.0841 (5) | 0.4267 (6) | 0.85232 (10) | 0.0642 (4) | 0.265 (2) |
H1A_10 | 0.0241 | 0.4217 | 0.8568 | 0.077* | 0.265 (2) |
H1B_10 | 0.1212 | 0.3728 | 0.8570 | 0.077* | 0.265 (2) |
C2_10 | 0.0740 (4) | 0.4302 (6) | 0.83048 (10) | 0.0658 (4) | 0.265 (2) |
H2A_10 | 0.0511 | 0.3703 | 0.8251 | 0.079* | 0.265 (2) |
H2B_10 | 0.0316 | 0.4799 | 0.8257 | 0.079* | 0.265 (2) |
C3_10 | 0.1674 (5) | 0.4494 (7) | 0.80563 (7) | 0.0574 (4) | 0.265 (2) |
H3A_10 | 0.1308 | 0.5010 | 0.7996 | 0.069* | 0.265 (2) |
H3B_10 | 0.1444 | 0.3903 | 0.7999 | 0.069* | 0.265 (2) |
C4_10 | 0.2678 (6) | 0.4624 (7) | 0.80326 (8) | 0.0547 (4) | 0.265 (2) |
H4A_10 | 0.3031 | 0.4070 | 0.8078 | 0.066* | 0.265 (2) |
H4B_10 | 0.2753 | 0.4729 | 0.7899 | 0.066* | 0.265 (2) |
C5_10 | 0.3954 (4) | 0.5655 (7) | 0.81520 (9) | 0.0705 (5) | 0.265 (2) |
H5A_10 | 0.4116 | 0.5755 | 0.8024 | 0.085* | 0.265 (2) |
H5B_10 | 0.4327 | 0.5142 | 0.8212 | 0.085* | 0.265 (2) |
C6_10 | 0.4095 (5) | 0.6530 (7) | 0.82677 (10) | 0.0750 (5) | 0.265 (2) |
H6A_10 | 0.4743 | 0.6702 | 0.8285 | 0.090* | 0.265 (2) |
H6B_10 | 0.3746 | 0.7049 | 0.8204 | 0.090* | 0.265 (2) |
C7_10 | 0.3783 (5) | 0.7136 (6) | 0.85686 (11) | 0.0682 (4) | 0.265 (2) |
H7A_10 | 0.3389 | 0.7628 | 0.8507 | 0.082* | 0.265 (2) |
H7B_10 | 0.4404 | 0.7386 | 0.8597 | 0.082* | 0.265 (2) |
C8_10 | 0.3421 (6) | 0.6806 (6) | 0.87526 (9) | 0.0649 (4) | 0.265 (2) |
H8A_10 | 0.3900 | 0.6469 | 0.8833 | 0.078* | 0.265 (2) |
H8B_10 | 0.3227 | 0.7344 | 0.8824 | 0.078* | 0.265 (2) |
C9_10 | 0.2014 (6) | 0.6133 (7) | 0.88299 (7) | 0.0519 (3) | 0.265 (2) |
H9A_10 | 0.1576 | 0.6651 | 0.8812 | 0.062* | 0.265 (2) |
H9B_10 | 0.2320 | 0.6151 | 0.8960 | 0.062* | 0.265 (2) |
C10_10 | 0.1536 (5) | 0.5210 (7) | 0.87905 (7) | 0.0554 (4) | 0.265 (2) |
H10A_10 | 0.1942 | 0.4692 | 0.8835 | 0.066* | 0.265 (2) |
H10B_10 | 0.0988 | 0.5178 | 0.8856 | 0.066* | 0.265 (2) |
O6_8 | 0.3115 (4) | 0.4364 (4) | 0.98062 (7) | 0.0602 (3) | |
H1W_8 | 0.331 (4) | 0.397 (3) | 0.9736 (7) | 0.090* | |
H2W_8 | 0.318 (4) | 0.413 (4) | 0.9914 (3) | 0.090* | |
O7_8 | 0.1911 (4) | 0.6745 (4) | 0.95898 (7) | 0.0610 (3) | |
H3W_8 | 0.177 (4) | 0.719 (3) | 0.9656 (8) | 0.092* | |
H4W_8 | 0.151 (3) | 0.674 (5) | 0.9498 (6) | 0.092* | |
Zn8_8 | 0.25162 (6) | 0.55572 (8) | 0.970240 (10) | 0.03835 (10) | |
O1_8 | 0.3777 (2) | 0.5821 (4) | 0.95497 (6) | 0.0472 (2) | |
O2_8 | 0.3410 (3) | 0.6556 (4) | 0.98810 (6) | 0.0504 (2) | |
O3_8 | 0.1994 (3) | 0.5655 (4) | 0.99869 (5) | 0.0521 (3) | |
O4_8 | 0.1132 (3) | 0.4842 (4) | 0.96657 (6) | 0.0589 (3) | |
O5_8 | 0.2289 (3) | 0.4901 (4) | 0.94257 (6) | 0.0516 (2) | |
C1_8 | 0.4248 (5) | 0.6659 (6) | 0.96177 (10) | 0.0642 (4) | |
H11_8 | 0.3915 | 0.7220 | 0.9568 | 0.077* | |
H12_8 | 0.4853 | 0.6674 | 0.9576 | 0.077* | |
C2_8 | 0.4318 (4) | 0.6637 (7) | 0.98345 (9) | 0.0658 (4) | |
H21_8 | 0.4682 | 0.6098 | 0.9885 | 0.079* | |
H22_8 | 0.4601 | 0.7216 | 0.9889 | 0.079* | |
C3_8 | 0.3334 (4) | 0.6517 (6) | 1.00823 (8) | 0.0574 (4) | |
H31_8 | 0.3594 | 0.7084 | 1.0147 | 0.069* | |
H32_8 | 0.3651 | 0.5964 | 1.0140 | 0.069* | |
C4_8 | 0.2322 (4) | 0.6454 (6) | 1.00990 (9) | 0.0547 (4) | |
H41_8 | 0.2220 | 0.6368 | 1.0232 | 0.066* | |
H42_8 | 0.2012 | 0.7030 | 1.0050 | 0.066* | |
C5_8 | 0.1028 (4) | 0.5531 (7) | 0.99692 (9) | 0.0705 (5) | |
H51_8 | 0.0720 | 0.6079 | 0.9906 | 0.085* | |
H52_8 | 0.0825 | 0.5456 | 1.0095 | 0.085* | |
C6_8 | 0.0823 (5) | 0.4661 (7) | 0.98516 (10) | 0.0750 (5) | |
H61_8 | 0.1142 | 0.4117 | 0.9913 | 0.090* | |
H62_8 | 0.0172 | 0.4531 | 0.9836 | 0.090* | |
C7_8 | 0.1121 (5) | 0.4046 (6) | 0.95434 (10) | 0.0682 (4) | |
H71_8 | 0.0500 | 0.3816 | 0.9512 | 0.082* | |
H72_8 | 0.1487 | 0.3537 | 0.9607 | 0.082* | |
C8_8 | 0.1505 (5) | 0.4346 (6) | 0.93641 (10) | 0.0649 (4) | |
H81_8 | 0.1670 | 0.3793 | 0.9293 | 0.078* | |
H82_8 | 0.1061 | 0.4718 | 0.9282 | 0.078* | |
C9_8 | 0.2987 (4) | 0.4903 (6) | 0.93020 (9) | 0.0519 (3) | |
H91_8 | 0.2720 | 0.4902 | 0.9168 | 0.062* | |
H92_8 | 0.3372 | 0.4345 | 0.9325 | 0.062* | |
C10_8 | 0.3535 (5) | 0.5788 (6) | 0.93467 (8) | 0.0554 (4) | |
H101_8 | 0.4081 | 0.5776 | 0.9282 | 0.066* | |
H102_8 | 0.3178 | 0.6344 | 0.9303 | 0.066* | |
N1_11 | 0.0807 (4) | 0.7424 (4) | 0.03601 (8) | 0.0483 (3) | |
O8_11 | 0.0568 (4) | 0.6727 (5) | 0.04438 (10) | 0.1026 (5) | |
O9_11 | 0.1530 (4) | 0.7782 (5) | 0.04336 (8) | 0.0830 (4) | |
O10_11 | 0.0420 (4) | 0.7714 (5) | 0.02059 (8) | 0.0857 (4) | |
N2_12 | 0.1022 (4) | 0.7340 (4) | 0.16436 (8) | 0.0462 (3) | |
O8_12 | 0.0900 (4) | 0.6618 (4) | 0.17383 (8) | 0.0800 (4) | |
O9_12 | 0.1766 (4) | 0.7751 (5) | 0.16820 (8) | 0.0796 (4) | |
O10_12 | 0.0473 (4) | 0.7615 (6) | 0.15122 (8) | 0.0895 (4) | |
N3_13 | 0.0852 (4) | 0.7400 (4) | 0.28785 (8) | 0.0483 (3) | |
O8_13 | 0.0700 (5) | 0.6693 (5) | 0.29738 (9) | 0.1026 (5) | |
O9_13 | 0.1532 (4) | 0.7850 (5) | 0.29427 (7) | 0.0830 (4) | |
O10_13 | 0.0435 (4) | 0.7586 (5) | 0.27199 (8) | 0.0857 (4) | |
N4_14 | 0.0840 (4) | 0.7395 (5) | 0.41200 (8) | 0.0483 (3) | |
O8_14 | 0.0623 (5) | 0.6686 (5) | 0.42014 (10) | 0.1026 (5) | |
O9_14 | 0.1596 (4) | 0.7732 (5) | 0.41879 (8) | 0.0830 (4) | |
O10_14 | 0.0444 (4) | 0.7765 (5) | 0.39746 (8) | 0.0857 (4) | |
N5_15 | 0.1004 (4) | 0.7361 (4) | 0.54003 (8) | 0.0462 (3) | |
O8_15 | 0.0917 (4) | 0.6625 (4) | 0.54948 (8) | 0.0800 (4) | |
O9_15 | 0.1698 (4) | 0.7827 (5) | 0.54432 (8) | 0.0796 (4) | |
O10_15 | 0.0451 (4) | 0.7553 (6) | 0.52624 (8) | 0.0895 (4) | |
N6_16 | 0.0821 (4) | 0.7424 (4) | 0.66173 (8) | 0.0483 (3) | |
O8_16 | 0.0629 (5) | 0.6724 (5) | 0.67073 (9) | 0.1026 (5) | |
O9_16 | 0.1508 (4) | 0.7842 (5) | 0.66909 (8) | 0.0830 (4) | |
O10_16 | 0.0431 (4) | 0.7653 (5) | 0.64592 (8) | 0.0857 (4) | |
N7_17 | 0.0948 (4) | 0.7345 (4) | 0.78838 (8) | 0.0462 (3) | |
O8_17 | 0.0812 (4) | 0.6626 (4) | 0.79766 (7) | 0.0800 (4) | |
O9_17 | 0.1709 (4) | 0.7727 (5) | 0.79323 (8) | 0.0796 (4) | |
O10_17 | 0.0453 (4) | 0.7664 (6) | 0.77498 (8) | 0.0895 (4) | |
N8_18 | 0.0921 (4) | 0.7375 (4) | 0.91405 (8) | 0.0462 (3) | |
O8_18 | 0.0854 (4) | 0.6655 (4) | 0.92405 (8) | 0.0800 (4) | |
O9_18 | 0.1606 (4) | 0.7861 (5) | 0.91887 (8) | 0.0796 (4) | |
O10_18 | 0.0417 (4) | 0.7530 (6) | 0.89911 (8) | 0.0895 (4) | |
N9_19 | 0.4023 (4) | 0.3760 (4) | 0.14737 (8) | 0.0462 (3) | |
O8_19 | 0.4103 (4) | 0.4486 (4) | 0.13805 (8) | 0.0800 (4) | |
O9_19 | 0.3324 (4) | 0.3272 (5) | 0.14369 (8) | 0.0796 (4) | |
O10_19 | 0.4573 (4) | 0.3482 (6) | 0.16062 (8) | 0.0895 (4) | |
N10_20 | 0.4174 (4) | 0.3677 (5) | 0.27615 (8) | 0.0483 (3) | |
O8_20 | 0.4454 (4) | 0.4372 (5) | 0.26855 (9) | 0.1026 (5) | |
O9_20 | 0.3471 (4) | 0.3275 (5) | 0.26937 (8) | 0.0830 (4) | |
O10_20 | 0.4582 (4) | 0.3378 (5) | 0.29127 (8) | 0.0857 (4) | |
N11_21 | 0.4102 (4) | 0.3736 (4) | 0.39871 (7) | 0.0462 (3) | |
O8_21 | 0.4184 (4) | 0.4425 (4) | 0.38869 (8) | 0.0800 (4) | |
O9_21 | 0.3475 (4) | 0.3141 (4) | 0.39463 (8) | 0.0796 (4) | |
O10_21 | 0.4621 (4) | 0.3574 (5) | 0.41317 (8) | 0.0895 (4) | |
N12_22 | 0.4018 (4) | 0.3758 (4) | 0.52330 (8) | 0.0462 (3) | |
O8_22 | 0.4182 (4) | 0.4483 (4) | 0.51466 (8) | 0.0800 (4) | |
O9_22 | 0.3277 (4) | 0.3347 (5) | 0.51951 (8) | 0.0796 (4) | |
O10_22 | 0.4559 (4) | 0.3426 (6) | 0.53665 (8) | 0.0895 (4) | |
N13_23 | 0.4224 (4) | 0.3690 (4) | 0.65110 (8) | 0.0483 (3) | |
O8_23 | 0.4465 (4) | 0.4381 (5) | 0.64270 (9) | 0.1026 (5) | |
O9_23 | 0.3542 (4) | 0.3221 (5) | 0.64480 (8) | 0.0830 (4) | |
O10_23 | 0.4623 (4) | 0.3425 (5) | 0.66656 (8) | 0.0857 (4) | |
N14_24 | 0.4042 (4) | 0.3745 (4) | 0.77269 (8) | 0.0462 (3) | |
O8_24 | 0.4104 (4) | 0.4464 (4) | 0.76302 (8) | 0.0800 (4) | |
O9_24 | 0.3393 (4) | 0.3182 (5) | 0.76900 (8) | 0.0796 (4) | |
O10_24 | 0.4607 (4) | 0.3537 (6) | 0.78644 (8) | 0.0895 (4) | |
N15_25 | 0.4098 (4) | 0.3699 (4) | 0.89988 (8) | 0.0483 (3) | |
O8_25 | 0.4384 (4) | 0.4412 (4) | 0.89278 (9) | 0.1026 (5) | |
O9_25 | 0.3355 (4) | 0.3349 (5) | 0.89390 (8) | 0.0830 (4) | |
O10_25 | 0.4554 (4) | 0.3348 (5) | 0.91404 (8) | 0.0857 (4) | |
N16_26 | 0.4184 (4) | 0.3721 (4) | 1.02478 (8) | 0.0483 (3) | |
O8_26 | 0.4330 (5) | 0.4404 (5) | 1.01535 (9) | 0.1026 (5) | |
O9_26 | 0.3572 (4) | 0.3138 (5) | 1.01947 (8) | 0.0830 (4) | |
O10_26 | 0.4650 (4) | 0.3549 (5) | 1.04001 (8) | 0.0857 (4) |
U11 | U22 | U33 | U12 | U13 | U23 | |
O6_1 | 0.0823 (7) | 0.0512 (6) | 0.0462 (5) | 0.0229 (5) | 0.0038 (5) | −0.0008 (4) |
O7_1 | 0.0739 (7) | 0.0524 (6) | 0.0537 (5) | 0.0249 (5) | −0.0046 (5) | −0.0038 (4) |
Zn1_1 | 0.03781 (15) | 0.03849 (15) | 0.03912 (13) | 0.00208 (6) | 0.00617 (9) | −0.00227 (6) |
O1_1 | 0.0438 (5) | 0.0515 (5) | 0.0476 (5) | −0.0053 (4) | 0.0110 (4) | −0.0020 (4) |
O2_1 | 0.0476 (5) | 0.0558 (5) | 0.0481 (5) | −0.0017 (4) | 0.0062 (4) | −0.0063 (4) |
O3_1 | 0.0528 (6) | 0.0558 (6) | 0.0503 (5) | −0.0015 (4) | 0.0166 (5) | −0.0089 (4) |
O4_1 | 0.0550 (6) | 0.0661 (6) | 0.0581 (5) | −0.0163 (5) | 0.0167 (4) | −0.0086 (4) |
O5_1 | 0.0504 (5) | 0.0590 (5) | 0.0465 (5) | −0.0106 (4) | 0.0099 (4) | −0.0150 (4) |
C1_1 | 0.0566 (9) | 0.0615 (9) | 0.0783 (10) | −0.0205 (7) | 0.0232 (7) | −0.0108 (7) |
C2_1 | 0.0491 (9) | 0.0722 (10) | 0.0762 (10) | −0.0165 (7) | 0.0084 (7) | −0.0195 (8) |
C3_1 | 0.0737 (10) | 0.0528 (8) | 0.0434 (7) | −0.0024 (7) | −0.0015 (6) | −0.0120 (6) |
C4_1 | 0.0738 (10) | 0.0499 (7) | 0.0420 (7) | 0.0090 (7) | 0.0128 (6) | −0.0075 (5) |
C5_1 | 0.0613 (12) | 0.0922 (13) | 0.0633 (10) | −0.0080 (8) | 0.0294 (9) | −0.0081 (8) |
C6_1 | 0.0677 (10) | 0.0921 (12) | 0.0707 (10) | −0.0293 (9) | 0.0304 (8) | −0.0074 (9) |
C7_1 | 0.0717 (11) | 0.0631 (9) | 0.0703 (9) | −0.0257 (8) | 0.0104 (8) | −0.0121 (7) |
C8_1 | 0.0649 (10) | 0.0689 (10) | 0.0600 (9) | −0.0214 (8) | 0.0035 (7) | −0.0190 (7) |
C9_1 | 0.0576 (8) | 0.0608 (8) | 0.0386 (6) | 0.0064 (7) | 0.0108 (6) | −0.0036 (6) |
C10_1 | 0.0573 (9) | 0.0638 (8) | 0.0472 (7) | −0.0011 (8) | 0.0158 (6) | 0.0073 (6) |
O6_2 | 0.0823 (7) | 0.0512 (6) | 0.0462 (5) | 0.0229 (5) | 0.0038 (5) | −0.0008 (4) |
O7_2 | 0.0739 (7) | 0.0524 (6) | 0.0537 (5) | 0.0249 (5) | −0.0046 (5) | −0.0038 (4) |
Zn2_2 | 0.03781 (15) | 0.03849 (15) | 0.03912 (13) | 0.00208 (6) | 0.00617 (9) | −0.00227 (6) |
O1_2 | 0.0438 (5) | 0.0515 (5) | 0.0476 (5) | −0.0053 (4) | 0.0110 (4) | −0.0020 (4) |
O2_2 | 0.0476 (5) | 0.0558 (5) | 0.0481 (5) | −0.0017 (4) | 0.0062 (4) | −0.0063 (4) |
O3_2 | 0.0528 (6) | 0.0558 (6) | 0.0503 (5) | −0.0015 (4) | 0.0166 (5) | −0.0089 (4) |
O4_2 | 0.0550 (6) | 0.0661 (6) | 0.0581 (5) | −0.0163 (5) | 0.0167 (4) | −0.0086 (4) |
O5_2 | 0.0504 (5) | 0.0590 (5) | 0.0465 (5) | −0.0106 (4) | 0.0099 (4) | −0.0150 (4) |
C1_2 | 0.0566 (9) | 0.0615 (9) | 0.0783 (10) | −0.0205 (7) | 0.0232 (7) | −0.0108 (7) |
C2_2 | 0.0491 (9) | 0.0722 (10) | 0.0762 (10) | −0.0165 (7) | 0.0084 (7) | −0.0195 (8) |
C3_2 | 0.0737 (10) | 0.0528 (8) | 0.0434 (7) | −0.0024 (7) | −0.0015 (6) | −0.0120 (6) |
C4_2 | 0.0738 (10) | 0.0499 (7) | 0.0420 (7) | 0.0090 (7) | 0.0128 (6) | −0.0075 (5) |
C5_2 | 0.0613 (12) | 0.0922 (13) | 0.0633 (10) | −0.0080 (8) | 0.0294 (9) | −0.0081 (8) |
C6_2 | 0.0677 (10) | 0.0921 (12) | 0.0707 (10) | −0.0293 (9) | 0.0304 (8) | −0.0074 (9) |
C7_2 | 0.0717 (11) | 0.0631 (9) | 0.0703 (9) | −0.0257 (8) | 0.0104 (8) | −0.0121 (7) |
C8_2 | 0.0649 (10) | 0.0689 (10) | 0.0600 (9) | −0.0214 (8) | 0.0035 (7) | −0.0190 (7) |
C9_2 | 0.0576 (8) | 0.0608 (8) | 0.0386 (6) | 0.0064 (7) | 0.0108 (6) | −0.0036 (6) |
C10_2 | 0.0573 (9) | 0.0638 (8) | 0.0472 (7) | −0.0011 (8) | 0.0158 (6) | 0.0073 (6) |
O6_3 | 0.0823 (7) | 0.0512 (6) | 0.0462 (5) | 0.0229 (5) | 0.0038 (5) | −0.0008 (4) |
O7_3 | 0.0739 (7) | 0.0524 (6) | 0.0537 (5) | 0.0249 (5) | −0.0046 (5) | −0.0038 (4) |
Zn3_3 | 0.03781 (15) | 0.03849 (15) | 0.03912 (13) | 0.00208 (6) | 0.00617 (9) | −0.00227 (6) |
O1_3 | 0.0438 (5) | 0.0515 (5) | 0.0476 (5) | −0.0053 (4) | 0.0110 (4) | −0.0020 (4) |
O2_3 | 0.0476 (5) | 0.0558 (5) | 0.0481 (5) | −0.0017 (4) | 0.0062 (4) | −0.0063 (4) |
O3_3 | 0.0528 (6) | 0.0558 (6) | 0.0503 (5) | −0.0015 (4) | 0.0166 (5) | −0.0089 (4) |
O4_3 | 0.0550 (6) | 0.0661 (6) | 0.0581 (5) | −0.0163 (5) | 0.0167 (4) | −0.0086 (4) |
O5_3 | 0.0504 (5) | 0.0590 (5) | 0.0465 (5) | −0.0106 (4) | 0.0099 (4) | −0.0150 (4) |
C1_3 | 0.0566 (9) | 0.0615 (9) | 0.0783 (10) | −0.0205 (7) | 0.0232 (7) | −0.0108 (7) |
C2_3 | 0.0491 (9) | 0.0722 (10) | 0.0762 (10) | −0.0165 (7) | 0.0084 (7) | −0.0195 (8) |
C3_3 | 0.0737 (10) | 0.0528 (8) | 0.0434 (7) | −0.0024 (7) | −0.0015 (6) | −0.0120 (6) |
C4_3 | 0.0738 (10) | 0.0499 (7) | 0.0420 (7) | 0.0090 (7) | 0.0128 (6) | −0.0075 (5) |
C5_3 | 0.0613 (12) | 0.0922 (13) | 0.0633 (10) | −0.0080 (8) | 0.0294 (9) | −0.0081 (8) |
C6_3 | 0.0677 (10) | 0.0921 (12) | 0.0707 (10) | −0.0293 (9) | 0.0304 (8) | −0.0074 (9) |
C7_3 | 0.0717 (11) | 0.0631 (9) | 0.0703 (9) | −0.0257 (8) | 0.0104 (8) | −0.0121 (7) |
C8_3 | 0.0649 (10) | 0.0689 (10) | 0.0600 (9) | −0.0214 (8) | 0.0035 (7) | −0.0190 (7) |
C9_3 | 0.0576 (8) | 0.0608 (8) | 0.0386 (6) | 0.0064 (7) | 0.0108 (6) | −0.0036 (6) |
C10_3 | 0.0573 (9) | 0.0638 (8) | 0.0472 (7) | −0.0011 (8) | 0.0158 (6) | 0.0073 (6) |
Zn9_9 | 0.03781 (15) | 0.03849 (15) | 0.03912 (13) | 0.00208 (6) | 0.00617 (9) | −0.00227 (6) |
O1_9 | 0.0438 (5) | 0.0515 (5) | 0.0476 (5) | −0.0053 (4) | 0.0110 (4) | −0.0020 (4) |
O2_9 | 0.0476 (5) | 0.0558 (5) | 0.0481 (5) | −0.0017 (4) | 0.0062 (4) | −0.0063 (4) |
O3_9 | 0.0528 (6) | 0.0558 (6) | 0.0503 (5) | −0.0015 (4) | 0.0166 (5) | −0.0089 (4) |
O4_9 | 0.0550 (6) | 0.0661 (6) | 0.0581 (5) | −0.0163 (5) | 0.0167 (4) | −0.0086 (4) |
O5_9 | 0.0504 (5) | 0.0590 (5) | 0.0465 (5) | −0.0106 (4) | 0.0099 (4) | −0.0150 (4) |
C1_9 | 0.0566 (9) | 0.0615 (9) | 0.0783 (10) | −0.0205 (7) | 0.0232 (7) | −0.0108 (7) |
C2_9 | 0.0491 (9) | 0.0722 (10) | 0.0762 (10) | −0.0165 (7) | 0.0084 (7) | −0.0195 (8) |
C3_9 | 0.0737 (10) | 0.0528 (8) | 0.0434 (7) | −0.0024 (7) | −0.0015 (6) | −0.0120 (6) |
C4_9 | 0.0738 (10) | 0.0499 (7) | 0.0420 (7) | 0.0090 (7) | 0.0128 (6) | −0.0075 (5) |
C5_9 | 0.0613 (12) | 0.0922 (13) | 0.0633 (10) | −0.0080 (8) | 0.0294 (9) | −0.0081 (8) |
C6_9 | 0.0677 (10) | 0.0921 (12) | 0.0707 (10) | −0.0293 (9) | 0.0304 (8) | −0.0074 (9) |
C7_9 | 0.0717 (11) | 0.0631 (9) | 0.0703 (9) | −0.0257 (8) | 0.0104 (8) | −0.0121 (7) |
C8_9 | 0.0649 (10) | 0.0689 (10) | 0.0600 (9) | −0.0214 (8) | 0.0035 (7) | −0.0190 (7) |
C9_9 | 0.0576 (8) | 0.0608 (8) | 0.0386 (6) | 0.0064 (7) | 0.0108 (6) | −0.0036 (6) |
C10_9 | 0.0573 (9) | 0.0638 (8) | 0.0472 (7) | −0.0011 (8) | 0.0158 (6) | 0.0073 (6) |
O6_4 | 0.0823 (7) | 0.0512 (6) | 0.0462 (5) | 0.0229 (5) | 0.0038 (5) | −0.0008 (4) |
O7_4 | 0.0739 (7) | 0.0524 (6) | 0.0537 (5) | 0.0249 (5) | −0.0046 (5) | −0.0038 (4) |
Zn4_4 | 0.03781 (15) | 0.03849 (15) | 0.03912 (13) | 0.00208 (6) | 0.00617 (9) | −0.00227 (6) |
O1_4 | 0.0438 (5) | 0.0515 (5) | 0.0476 (5) | −0.0053 (4) | 0.0110 (4) | −0.0020 (4) |
O2_4 | 0.0476 (5) | 0.0558 (5) | 0.0481 (5) | −0.0017 (4) | 0.0062 (4) | −0.0063 (4) |
O3_4 | 0.0528 (6) | 0.0558 (6) | 0.0503 (5) | −0.0015 (4) | 0.0166 (5) | −0.0089 (4) |
O4_4 | 0.0550 (6) | 0.0661 (6) | 0.0581 (5) | −0.0163 (5) | 0.0167 (4) | −0.0086 (4) |
O5_4 | 0.0504 (5) | 0.0590 (5) | 0.0465 (5) | −0.0106 (4) | 0.0099 (4) | −0.0150 (4) |
C1_4 | 0.0566 (9) | 0.0615 (9) | 0.0783 (10) | −0.0205 (7) | 0.0232 (7) | −0.0108 (7) |
C2_4 | 0.0491 (9) | 0.0722 (10) | 0.0762 (10) | −0.0165 (7) | 0.0084 (7) | −0.0195 (8) |
C3_4 | 0.0737 (10) | 0.0528 (8) | 0.0434 (7) | −0.0024 (7) | −0.0015 (6) | −0.0120 (6) |
C4_4 | 0.0738 (10) | 0.0499 (7) | 0.0420 (7) | 0.0090 (7) | 0.0128 (6) | −0.0075 (5) |
C5_4 | 0.0613 (12) | 0.0922 (13) | 0.0633 (10) | −0.0080 (8) | 0.0294 (9) | −0.0081 (8) |
C6_4 | 0.0677 (10) | 0.0921 (12) | 0.0707 (10) | −0.0293 (9) | 0.0304 (8) | −0.0074 (9) |
C7_4 | 0.0717 (11) | 0.0631 (9) | 0.0703 (9) | −0.0257 (8) | 0.0104 (8) | −0.0121 (7) |
C8_4 | 0.0649 (10) | 0.0689 (10) | 0.0600 (9) | −0.0214 (8) | 0.0035 (7) | −0.0190 (7) |
C9_4 | 0.0576 (8) | 0.0608 (8) | 0.0386 (6) | 0.0064 (7) | 0.0108 (6) | −0.0036 (6) |
C10_4 | 0.0573 (9) | 0.0638 (8) | 0.0472 (7) | −0.0011 (8) | 0.0158 (6) | 0.0073 (6) |
O6_5 | 0.0823 (7) | 0.0512 (6) | 0.0462 (5) | 0.0229 (5) | 0.0038 (5) | −0.0008 (4) |
O7_5 | 0.0739 (7) | 0.0524 (6) | 0.0537 (5) | 0.0249 (5) | −0.0046 (5) | −0.0038 (4) |
Zn5_5 | 0.03781 (15) | 0.03849 (15) | 0.03912 (13) | 0.00208 (6) | 0.00617 (9) | −0.00227 (6) |
O1_5 | 0.0438 (5) | 0.0515 (5) | 0.0476 (5) | −0.0053 (4) | 0.0110 (4) | −0.0020 (4) |
O2_5 | 0.0476 (5) | 0.0558 (5) | 0.0481 (5) | −0.0017 (4) | 0.0062 (4) | −0.0063 (4) |
O3_5 | 0.0528 (6) | 0.0558 (6) | 0.0503 (5) | −0.0015 (4) | 0.0166 (5) | −0.0089 (4) |
O4_5 | 0.0550 (6) | 0.0661 (6) | 0.0581 (5) | −0.0163 (5) | 0.0167 (4) | −0.0086 (4) |
O5_5 | 0.0504 (5) | 0.0590 (5) | 0.0465 (5) | −0.0106 (4) | 0.0099 (4) | −0.0150 (4) |
C1_5 | 0.0566 (9) | 0.0615 (9) | 0.0783 (10) | −0.0205 (7) | 0.0232 (7) | −0.0108 (7) |
C2_5 | 0.0491 (9) | 0.0722 (10) | 0.0762 (10) | −0.0165 (7) | 0.0084 (7) | −0.0195 (8) |
C3_5 | 0.0737 (10) | 0.0528 (8) | 0.0434 (7) | −0.0024 (7) | −0.0015 (6) | −0.0120 (6) |
C4_5 | 0.0738 (10) | 0.0499 (7) | 0.0420 (7) | 0.0090 (7) | 0.0128 (6) | −0.0075 (5) |
C5_5 | 0.0613 (12) | 0.0922 (13) | 0.0633 (10) | −0.0080 (8) | 0.0294 (9) | −0.0081 (8) |
C6_5 | 0.0677 (10) | 0.0921 (12) | 0.0707 (10) | −0.0293 (9) | 0.0304 (8) | −0.0074 (9) |
C7_5 | 0.0717 (11) | 0.0631 (9) | 0.0703 (9) | −0.0257 (8) | 0.0104 (8) | −0.0121 (7) |
C8_5 | 0.0649 (10) | 0.0689 (10) | 0.0600 (9) | −0.0214 (8) | 0.0035 (7) | −0.0190 (7) |
C9_5 | 0.0576 (8) | 0.0608 (8) | 0.0386 (6) | 0.0064 (7) | 0.0108 (6) | −0.0036 (6) |
C10_5 | 0.0573 (9) | 0.0638 (8) | 0.0472 (7) | −0.0011 (8) | 0.0158 (6) | 0.0073 (6) |
O6_6 | 0.0823 (7) | 0.0512 (6) | 0.0462 (5) | 0.0229 (5) | 0.0038 (5) | −0.0008 (4) |
O7_6 | 0.0739 (7) | 0.0524 (6) | 0.0537 (5) | 0.0249 (5) | −0.0046 (5) | −0.0038 (4) |
Zn6_6 | 0.03781 (15) | 0.03849 (15) | 0.03912 (13) | 0.00208 (6) | 0.00617 (9) | −0.00227 (6) |
O1_6 | 0.0438 (5) | 0.0515 (5) | 0.0476 (5) | −0.0053 (4) | 0.0110 (4) | −0.0020 (4) |
O2_6 | 0.0476 (5) | 0.0558 (5) | 0.0481 (5) | −0.0017 (4) | 0.0062 (4) | −0.0063 (4) |
O3_6 | 0.0528 (6) | 0.0558 (6) | 0.0503 (5) | −0.0015 (4) | 0.0166 (5) | −0.0089 (4) |
O4_6 | 0.0550 (6) | 0.0661 (6) | 0.0581 (5) | −0.0163 (5) | 0.0167 (4) | −0.0086 (4) |
O5_6 | 0.0504 (5) | 0.0590 (5) | 0.0465 (5) | −0.0106 (4) | 0.0099 (4) | −0.0150 (4) |
C1_6 | 0.0566 (9) | 0.0615 (9) | 0.0783 (10) | −0.0205 (7) | 0.0232 (7) | −0.0108 (7) |
C2_6 | 0.0491 (9) | 0.0722 (10) | 0.0762 (10) | −0.0165 (7) | 0.0084 (7) | −0.0195 (8) |
C3_6 | 0.0737 (10) | 0.0528 (8) | 0.0434 (7) | −0.0024 (7) | −0.0015 (6) | −0.0120 (6) |
C4_6 | 0.0738 (10) | 0.0499 (7) | 0.0420 (7) | 0.0090 (7) | 0.0128 (6) | −0.0075 (5) |
C5_6 | 0.0613 (12) | 0.0922 (13) | 0.0633 (10) | −0.0080 (8) | 0.0294 (9) | −0.0081 (8) |
C6_6 | 0.0677 (10) | 0.0921 (12) | 0.0707 (10) | −0.0293 (9) | 0.0304 (8) | −0.0074 (9) |
C7_6 | 0.0717 (11) | 0.0631 (9) | 0.0703 (9) | −0.0257 (8) | 0.0104 (8) | −0.0121 (7) |
C8_6 | 0.0649 (10) | 0.0689 (10) | 0.0600 (9) | −0.0214 (8) | 0.0035 (7) | −0.0190 (7) |
C9_6 | 0.0576 (8) | 0.0608 (8) | 0.0386 (6) | 0.0064 (7) | 0.0108 (6) | −0.0036 (6) |
C10_6 | 0.0573 (9) | 0.0638 (8) | 0.0472 (7) | −0.0011 (8) | 0.0158 (6) | 0.0073 (6) |
O6_7 | 0.0823 (7) | 0.0512 (6) | 0.0462 (5) | 0.0229 (5) | 0.0038 (5) | −0.0008 (4) |
O7_7 | 0.0739 (7) | 0.0524 (6) | 0.0537 (5) | 0.0249 (5) | −0.0046 (5) | −0.0038 (4) |
Zn7_7 | 0.03781 (15) | 0.03849 (15) | 0.03912 (13) | 0.00208 (6) | 0.00617 (9) | −0.00227 (6) |
O1_7 | 0.0438 (5) | 0.0515 (5) | 0.0476 (5) | −0.0053 (4) | 0.0110 (4) | −0.0020 (4) |
O2_7 | 0.0476 (5) | 0.0558 (5) | 0.0481 (5) | −0.0017 (4) | 0.0062 (4) | −0.0063 (4) |
O3_7 | 0.0528 (6) | 0.0558 (6) | 0.0503 (5) | −0.0015 (4) | 0.0166 (5) | −0.0089 (4) |
O4_7 | 0.0550 (6) | 0.0661 (6) | 0.0581 (5) | −0.0163 (5) | 0.0167 (4) | −0.0086 (4) |
O5_7 | 0.0504 (5) | 0.0590 (5) | 0.0465 (5) | −0.0106 (4) | 0.0099 (4) | −0.0150 (4) |
C1_7 | 0.0566 (9) | 0.0615 (9) | 0.0783 (10) | −0.0205 (7) | 0.0232 (7) | −0.0108 (7) |
C2_7 | 0.0491 (9) | 0.0722 (10) | 0.0762 (10) | −0.0165 (7) | 0.0084 (7) | −0.0195 (8) |
C3_7 | 0.0737 (10) | 0.0528 (8) | 0.0434 (7) | −0.0024 (7) | −0.0015 (6) | −0.0120 (6) |
C4_7 | 0.0738 (10) | 0.0499 (7) | 0.0420 (7) | 0.0090 (7) | 0.0128 (6) | −0.0075 (5) |
C5_7 | 0.0613 (12) | 0.0922 (13) | 0.0633 (10) | −0.0080 (8) | 0.0294 (9) | −0.0081 (8) |
C6_7 | 0.0677 (10) | 0.0921 (12) | 0.0707 (10) | −0.0293 (9) | 0.0304 (8) | −0.0074 (9) |
C7_7 | 0.0717 (11) | 0.0631 (9) | 0.0703 (9) | −0.0257 (8) | 0.0104 (8) | −0.0121 (7) |
C8_7 | 0.0649 (10) | 0.0689 (10) | 0.0600 (9) | −0.0214 (8) | 0.0035 (7) | −0.0190 (7) |
C9_7 | 0.0576 (8) | 0.0608 (8) | 0.0386 (6) | 0.0064 (7) | 0.0108 (6) | −0.0036 (6) |
C10_7 | 0.0573 (9) | 0.0638 (8) | 0.0472 (7) | −0.0011 (8) | 0.0158 (6) | 0.0073 (6) |
Zn10_10 | 0.03781 (15) | 0.03849 (15) | 0.03912 (13) | 0.00208 (6) | 0.00617 (9) | −0.00227 (6) |
O1_10 | 0.0438 (5) | 0.0515 (5) | 0.0476 (5) | −0.0053 (4) | 0.0110 (4) | −0.0020 (4) |
O2_10 | 0.0476 (5) | 0.0558 (5) | 0.0481 (5) | −0.0017 (4) | 0.0062 (4) | −0.0063 (4) |
O3_10 | 0.0528 (6) | 0.0558 (6) | 0.0503 (5) | −0.0015 (4) | 0.0166 (5) | −0.0089 (4) |
O4_10 | 0.0550 (6) | 0.0661 (6) | 0.0581 (5) | −0.0163 (5) | 0.0167 (4) | −0.0086 (4) |
O5_10 | 0.0504 (5) | 0.0590 (5) | 0.0465 (5) | −0.0106 (4) | 0.0099 (4) | −0.0150 (4) |
C1_10 | 0.0566 (9) | 0.0615 (9) | 0.0783 (10) | −0.0205 (7) | 0.0232 (7) | −0.0108 (7) |
C2_10 | 0.0491 (9) | 0.0722 (10) | 0.0762 (10) | −0.0165 (7) | 0.0084 (7) | −0.0195 (8) |
C3_10 | 0.0737 (10) | 0.0528 (8) | 0.0434 (7) | −0.0024 (7) | −0.0015 (6) | −0.0120 (6) |
C4_10 | 0.0738 (10) | 0.0499 (7) | 0.0420 (7) | 0.0090 (7) | 0.0128 (6) | −0.0075 (5) |
C5_10 | 0.0613 (12) | 0.0922 (13) | 0.0633 (10) | −0.0080 (8) | 0.0294 (9) | −0.0081 (8) |
C6_10 | 0.0677 (10) | 0.0921 (12) | 0.0707 (10) | −0.0293 (9) | 0.0304 (8) | −0.0074 (9) |
C7_10 | 0.0717 (11) | 0.0631 (9) | 0.0703 (9) | −0.0257 (8) | 0.0104 (8) | −0.0121 (7) |
C8_10 | 0.0649 (10) | 0.0689 (10) | 0.0600 (9) | −0.0214 (8) | 0.0035 (7) | −0.0190 (7) |
C9_10 | 0.0576 (8) | 0.0608 (8) | 0.0386 (6) | 0.0064 (7) | 0.0108 (6) | −0.0036 (6) |
C10_10 | 0.0573 (9) | 0.0638 (8) | 0.0472 (7) | −0.0011 (8) | 0.0158 (6) | 0.0073 (6) |
O6_8 | 0.0823 (7) | 0.0512 (6) | 0.0462 (5) | 0.0229 (5) | 0.0038 (5) | −0.0008 (4) |
O7_8 | 0.0739 (7) | 0.0524 (6) | 0.0537 (5) | 0.0249 (5) | −0.0046 (5) | −0.0038 (4) |
Zn8_8 | 0.03781 (15) | 0.03849 (15) | 0.03912 (13) | 0.00208 (6) | 0.00617 (9) | −0.00227 (6) |
O1_8 | 0.0438 (5) | 0.0515 (5) | 0.0476 (5) | −0.0053 (4) | 0.0110 (4) | −0.0020 (4) |
O2_8 | 0.0476 (5) | 0.0558 (5) | 0.0481 (5) | −0.0017 (4) | 0.0062 (4) | −0.0063 (4) |
O3_8 | 0.0528 (6) | 0.0558 (6) | 0.0503 (5) | −0.0015 (4) | 0.0166 (5) | −0.0089 (4) |
O4_8 | 0.0550 (6) | 0.0661 (6) | 0.0581 (5) | −0.0163 (5) | 0.0167 (4) | −0.0086 (4) |
O5_8 | 0.0504 (5) | 0.0590 (5) | 0.0465 (5) | −0.0106 (4) | 0.0099 (4) | −0.0150 (4) |
C1_8 | 0.0566 (9) | 0.0615 (9) | 0.0783 (10) | −0.0205 (7) | 0.0232 (7) | −0.0108 (7) |
C2_8 | 0.0491 (9) | 0.0722 (10) | 0.0762 (10) | −0.0165 (7) | 0.0084 (7) | −0.0195 (8) |
C3_8 | 0.0737 (10) | 0.0528 (8) | 0.0434 (7) | −0.0024 (7) | −0.0015 (6) | −0.0120 (6) |
C4_8 | 0.0738 (10) | 0.0499 (7) | 0.0420 (7) | 0.0090 (7) | 0.0128 (6) | −0.0075 (5) |
C5_8 | 0.0613 (12) | 0.0922 (13) | 0.0633 (10) | −0.0080 (8) | 0.0294 (9) | −0.0081 (8) |
C6_8 | 0.0677 (10) | 0.0921 (12) | 0.0707 (10) | −0.0293 (9) | 0.0304 (8) | −0.0074 (9) |
C7_8 | 0.0717 (11) | 0.0631 (9) | 0.0703 (9) | −0.0257 (8) | 0.0104 (8) | −0.0121 (7) |
C8_8 | 0.0649 (10) | 0.0689 (10) | 0.0600 (9) | −0.0214 (8) | 0.0035 (7) | −0.0190 (7) |
C9_8 | 0.0576 (8) | 0.0608 (8) | 0.0386 (6) | 0.0064 (7) | 0.0108 (6) | −0.0036 (6) |
C10_8 | 0.0573 (9) | 0.0638 (8) | 0.0472 (7) | −0.0011 (8) | 0.0158 (6) | 0.0073 (6) |
N1_11 | 0.0554 (7) | 0.0394 (6) | 0.0514 (6) | 0.0020 (5) | 0.0123 (5) | −0.0033 (4) |
O8_11 | 0.1348 (13) | 0.0658 (8) | 0.1142 (10) | −0.0210 (8) | 0.0430 (9) | 0.0218 (7) |
O9_11 | 0.0848 (9) | 0.0939 (10) | 0.0665 (7) | −0.0219 (7) | −0.0057 (6) | −0.0093 (6) |
O10_11 | 0.0823 (9) | 0.0930 (9) | 0.0762 (7) | 0.0166 (7) | −0.0132 (6) | 0.0106 (6) |
N2_12 | 0.0540 (7) | 0.0409 (6) | 0.0445 (5) | 0.0046 (5) | 0.0091 (5) | −0.0016 (4) |
O8_12 | 0.0977 (9) | 0.0637 (7) | 0.0783 (7) | −0.0254 (6) | 0.0091 (6) | 0.0150 (5) |
O9_12 | 0.0942 (9) | 0.0712 (8) | 0.0701 (7) | −0.0298 (7) | −0.0038 (6) | 0.0068 (5) |
O10_12 | 0.0770 (8) | 0.1017 (10) | 0.0841 (8) | 0.0232 (7) | −0.0134 (7) | 0.0091 (7) |
N3_13 | 0.0554 (7) | 0.0394 (6) | 0.0514 (6) | 0.0020 (5) | 0.0123 (5) | −0.0033 (4) |
O8_13 | 0.1348 (13) | 0.0658 (8) | 0.1142 (10) | −0.0210 (8) | 0.0430 (9) | 0.0218 (7) |
O9_13 | 0.0848 (9) | 0.0939 (10) | 0.0665 (7) | −0.0219 (7) | −0.0057 (6) | −0.0093 (6) |
O10_13 | 0.0823 (9) | 0.0930 (9) | 0.0762 (7) | 0.0166 (7) | −0.0132 (6) | 0.0106 (6) |
N4_14 | 0.0554 (7) | 0.0394 (6) | 0.0514 (6) | 0.0020 (5) | 0.0123 (5) | −0.0033 (4) |
O8_14 | 0.1348 (13) | 0.0658 (8) | 0.1142 (10) | −0.0210 (8) | 0.0430 (9) | 0.0218 (7) |
O9_14 | 0.0848 (9) | 0.0939 (10) | 0.0665 (7) | −0.0219 (7) | −0.0057 (6) | −0.0093 (6) |
O10_14 | 0.0823 (9) | 0.0930 (9) | 0.0762 (7) | 0.0166 (7) | −0.0132 (6) | 0.0106 (6) |
N5_15 | 0.0540 (7) | 0.0409 (6) | 0.0445 (5) | 0.0046 (5) | 0.0091 (5) | −0.0016 (4) |
O8_15 | 0.0977 (9) | 0.0637 (7) | 0.0783 (7) | −0.0254 (6) | 0.0091 (6) | 0.0150 (5) |
O9_15 | 0.0942 (9) | 0.0712 (8) | 0.0701 (7) | −0.0298 (7) | −0.0038 (6) | 0.0068 (5) |
O10_15 | 0.0770 (8) | 0.1017 (10) | 0.0841 (8) | 0.0232 (7) | −0.0134 (7) | 0.0091 (7) |
N6_16 | 0.0554 (7) | 0.0394 (6) | 0.0514 (6) | 0.0020 (5) | 0.0123 (5) | −0.0033 (4) |
O8_16 | 0.1348 (13) | 0.0658 (8) | 0.1142 (10) | −0.0210 (8) | 0.0430 (9) | 0.0218 (7) |
O9_16 | 0.0848 (9) | 0.0939 (10) | 0.0665 (7) | −0.0219 (7) | −0.0057 (6) | −0.0093 (6) |
O10_16 | 0.0823 (9) | 0.0930 (9) | 0.0762 (7) | 0.0166 (7) | −0.0132 (6) | 0.0106 (6) |
N7_17 | 0.0540 (7) | 0.0409 (6) | 0.0445 (5) | 0.0046 (5) | 0.0091 (5) | −0.0016 (4) |
O8_17 | 0.0977 (9) | 0.0637 (7) | 0.0783 (7) | −0.0254 (6) | 0.0091 (6) | 0.0150 (5) |
O9_17 | 0.0942 (9) | 0.0712 (8) | 0.0701 (7) | −0.0298 (7) | −0.0038 (6) | 0.0068 (5) |
O10_17 | 0.0770 (8) | 0.1017 (10) | 0.0841 (8) | 0.0232 (7) | −0.0134 (7) | 0.0091 (7) |
N8_18 | 0.0540 (7) | 0.0409 (6) | 0.0445 (5) | 0.0046 (5) | 0.0091 (5) | −0.0016 (4) |
O8_18 | 0.0977 (9) | 0.0637 (7) | 0.0783 (7) | −0.0254 (6) | 0.0091 (6) | 0.0150 (5) |
O9_18 | 0.0942 (9) | 0.0712 (8) | 0.0701 (7) | −0.0298 (7) | −0.0038 (6) | 0.0068 (5) |
O10_18 | 0.0770 (8) | 0.1017 (10) | 0.0841 (8) | 0.0232 (7) | −0.0134 (7) | 0.0091 (7) |
N9_19 | 0.0540 (7) | 0.0409 (6) | 0.0445 (5) | 0.0046 (5) | 0.0091 (5) | −0.0016 (4) |
O8_19 | 0.0977 (9) | 0.0637 (7) | 0.0783 (7) | −0.0254 (6) | 0.0091 (6) | 0.0150 (5) |
O9_19 | 0.0942 (9) | 0.0712 (8) | 0.0701 (7) | −0.0298 (7) | −0.0038 (6) | 0.0068 (5) |
O10_19 | 0.0770 (8) | 0.1017 (10) | 0.0841 (8) | 0.0232 (7) | −0.0134 (7) | 0.0091 (7) |
N10_20 | 0.0554 (7) | 0.0394 (6) | 0.0514 (6) | 0.0020 (5) | 0.0123 (5) | −0.0033 (4) |
O8_20 | 0.1348 (13) | 0.0658 (8) | 0.1142 (10) | −0.0210 (8) | 0.0430 (9) | 0.0218 (7) |
O9_20 | 0.0848 (9) | 0.0939 (10) | 0.0665 (7) | −0.0219 (7) | −0.0057 (6) | −0.0093 (6) |
O10_20 | 0.0823 (9) | 0.0930 (9) | 0.0762 (7) | 0.0166 (7) | −0.0132 (6) | 0.0106 (6) |
N11_21 | 0.0540 (7) | 0.0409 (6) | 0.0445 (5) | 0.0046 (5) | 0.0091 (5) | −0.0016 (4) |
O8_21 | 0.0977 (9) | 0.0637 (7) | 0.0783 (7) | −0.0254 (6) | 0.0091 (6) | 0.0150 (5) |
O9_21 | 0.0942 (9) | 0.0712 (8) | 0.0701 (7) | −0.0298 (7) | −0.0038 (6) | 0.0068 (5) |
O10_21 | 0.0770 (8) | 0.1017 (10) | 0.0841 (8) | 0.0232 (7) | −0.0134 (7) | 0.0091 (7) |
N12_22 | 0.0540 (7) | 0.0409 (6) | 0.0445 (5) | 0.0046 (5) | 0.0091 (5) | −0.0016 (4) |
O8_22 | 0.0977 (9) | 0.0637 (7) | 0.0783 (7) | −0.0254 (6) | 0.0091 (6) | 0.0150 (5) |
O9_22 | 0.0942 (9) | 0.0712 (8) | 0.0701 (7) | −0.0298 (7) | −0.0038 (6) | 0.0068 (5) |
O10_22 | 0.0770 (8) | 0.1017 (10) | 0.0841 (8) | 0.0232 (7) | −0.0134 (7) | 0.0091 (7) |
N13_23 | 0.0554 (7) | 0.0394 (6) | 0.0514 (6) | 0.0020 (5) | 0.0123 (5) | −0.0033 (4) |
O8_23 | 0.1348 (13) | 0.0658 (8) | 0.1142 (10) | −0.0210 (8) | 0.0430 (9) | 0.0218 (7) |
O9_23 | 0.0848 (9) | 0.0939 (10) | 0.0665 (7) | −0.0219 (7) | −0.0057 (6) | −0.0093 (6) |
O10_23 | 0.0823 (9) | 0.0930 (9) | 0.0762 (7) | 0.0166 (7) | −0.0132 (6) | 0.0106 (6) |
N14_24 | 0.0540 (7) | 0.0409 (6) | 0.0445 (5) | 0.0046 (5) | 0.0091 (5) | −0.0016 (4) |
O8_24 | 0.0977 (9) | 0.0637 (7) | 0.0783 (7) | −0.0254 (6) | 0.0091 (6) | 0.0150 (5) |
O9_24 | 0.0942 (9) | 0.0712 (8) | 0.0701 (7) | −0.0298 (7) | −0.0038 (6) | 0.0068 (5) |
O10_24 | 0.0770 (8) | 0.1017 (10) | 0.0841 (8) | 0.0232 (7) | −0.0134 (7) | 0.0091 (7) |
N15_25 | 0.0554 (7) | 0.0394 (6) | 0.0514 (6) | 0.0020 (5) | 0.0123 (5) | −0.0033 (4) |
O8_25 | 0.1348 (13) | 0.0658 (8) | 0.1142 (10) | −0.0210 (8) | 0.0430 (9) | 0.0218 (7) |
O9_25 | 0.0848 (9) | 0.0939 (10) | 0.0665 (7) | −0.0219 (7) | −0.0057 (6) | −0.0093 (6) |
O10_25 | 0.0823 (9) | 0.0930 (9) | 0.0762 (7) | 0.0166 (7) | −0.0132 (6) | 0.0106 (6) |
N16_26 | 0.0554 (7) | 0.0394 (6) | 0.0514 (6) | 0.0020 (5) | 0.0123 (5) | −0.0033 (4) |
O8_26 | 0.1348 (13) | 0.0658 (8) | 0.1142 (10) | −0.0210 (8) | 0.0430 (9) | 0.0218 (7) |
O9_26 | 0.0848 (9) | 0.0939 (10) | 0.0665 (7) | −0.0219 (7) | −0.0057 (6) | −0.0093 (6) |
O10_26 | 0.0823 (9) | 0.0930 (9) | 0.0762 (7) | 0.0166 (7) | −0.0132 (6) | 0.0106 (6) |
O6_1—Zn1_1 | 2.027 (5) | C2_5—H22_5 | 0.9700 |
O6_1—H1W_1 | 0.821 (10) | C3_5—C4_5 | 1.502 (7) |
O6_1—H2W_1 | 0.815 (10) | C3_5—H31_5 | 0.9700 |
O7_1—Zn1_1 | 1.997 (5) | C3_5—H32_5 | 0.9700 |
O7_1—H3W_1 | 0.817 (10) | C4_5—H41_5 | 0.9700 |
O7_1—H4W_1 | 0.817 (10) | C4_5—H42_5 | 0.9700 |
Zn1_1—O5_1 | 2.142 (4) | C5_5—C6_5 | 1.474 (9) |
Zn1_1—O2_1 | 2.203 (5) | C5_5—H51_5 | 0.9700 |
Zn1_1—O3_1 | 2.231 (4) | C5_5—H52_5 | 0.9700 |
Zn1_1—O1_1 | 2.248 (3) | C6_5—H61_5 | 0.9700 |
Zn1_1—O4_1 | 2.264 (4) | C6_5—H62_5 | 0.9700 |
O1_1—C10_1 | 1.440 (6) | C7_5—C8_5 | 1.478 (8) |
O1_1—C1_1 | 1.453 (7) | C7_5—H71_5 | 0.9700 |
O2_1—C3_1 | 1.421 (7) | C7_5—H72_5 | 0.9700 |
O2_1—C2_1 | 1.438 (6) | C8_5—H81_5 | 0.9700 |
O3_1—C5_1 | 1.435 (6) | C8_5—H82_5 | 0.9700 |
O3_1—C4_1 | 1.440 (7) | C9_5—C10_5 | 1.506 (8) |
O4_1—C6_1 | 1.417 (7) | C9_5—H91_5 | 0.9700 |
O4_1—C7_1 | 1.421 (7) | C9_5—H92_5 | 0.9700 |
O5_1—C8_1 | 1.411 (7) | C10_5—H101_5 | 0.9700 |
O5_1—C9_1 | 1.436 (6) | C10_5—H102_5 | 0.9700 |
C1_1—C2_1 | 1.498 (8) | O6_6—Zn6_6 | 2.025 (6) |
C1_1—H11_1 | 0.9700 | O6_6—H1W_6 | 0.820 (10) |
C1_1—H12_1 | 0.9700 | O6_6—H2W_6 | 0.820 (10) |
C2_1—H21_1 | 0.9700 | O7_6—Zn6_6 | 2.002 (6) |
C2_1—H22_1 | 0.9700 | O7_6—H3W_6 | 0.819 (10) |
C3_1—C4_1 | 1.510 (7) | O7_6—H4W_6 | 0.817 (10) |
C3_1—H31_1 | 0.9700 | Zn6_6—O5_6 | 2.150 (4) |
C3_1—H32_1 | 0.9700 | Zn6_6—O2_6 | 2.205 (5) |
C4_1—H41_1 | 0.9700 | Zn6_6—O3_6 | 2.237 (4) |
C4_1—H42_1 | 0.9700 | Zn6_6—O1_6 | 2.250 (4) |
C5_1—C6_1 | 1.490 (9) | Zn6_6—O4_6 | 2.267 (4) |
C5_1—H51_1 | 0.9700 | O1_6—C10_6 | 1.435 (6) |
C5_1—H52_1 | 0.9700 | O1_6—C1_6 | 1.443 (8) |
C6_1—H61_1 | 0.9700 | O2_6—C3_6 | 1.419 (7) |
C6_1—H62_1 | 0.9700 | O2_6—C2_6 | 1.429 (6) |
C7_1—C8_1 | 1.478 (8) | O3_6—C5_6 | 1.420 (6) |
C7_1—H71_1 | 0.9700 | O3_6—C4_6 | 1.433 (7) |
C7_1—H72_1 | 0.9700 | O4_6—C6_6 | 1.407 (7) |
C8_1—H81_1 | 0.9700 | O4_6—C7_6 | 1.433 (7) |
C8_1—H82_1 | 0.9700 | O5_6—C8_6 | 1.421 (7) |
C9_1—C10_1 | 1.466 (8) | O5_6—C9_6 | 1.432 (6) |
C9_1—H91_1 | 0.9700 | C1_6—C2_6 | 1.482 (8) |
C9_1—H92_1 | 0.9700 | C1_6—H11_6 | 0.9700 |
C10_1—H101_1 | 0.9700 | C1_6—H12_6 | 0.9700 |
C10_1—H102_1 | 0.9700 | C2_6—H21_6 | 0.9700 |
O6_2—Zn2_2 | 1.968 (5) | C2_6—H22_6 | 0.9700 |
O6_2—H1W_2 | 0.820 (10) | C3_6—C4_6 | 1.489 (7) |
O6_2—H2W_2 | 0.821 (10) | C3_6—H31_6 | 0.9700 |
O7_2—Zn2_2 | 2.019 (6) | C3_6—H32_6 | 0.9700 |
O7_2—H3W_2 | 0.811 (10) | C4_6—H41_6 | 0.9700 |
O7_2—H4W_2 | 0.809 (10) | C4_6—H42_6 | 0.9700 |
Zn2_2—O5_2 | 2.149 (4) | C5_6—C6_6 | 1.492 (9) |
Zn2_2—O2_2 | 2.211 (5) | C5_6—H51_6 | 0.9700 |
Zn2_2—O3_2 | 2.221 (4) | C5_6—H52_6 | 0.9700 |
Zn2_2—O4_2 | 2.263 (4) | C6_6—H61_6 | 0.9700 |
Zn2_2—O1_2 | 2.304 (4) | C6_6—H62_6 | 0.9700 |
O1_2—C10_2 | 1.421 (6) | C7_6—C8_6 | 1.472 (8) |
O1_2—C1_2 | 1.425 (7) | C7_6—H71_6 | 0.9700 |
O2_2—C2_2 | 1.415 (6) | C7_6—H72_6 | 0.9700 |
O2_2—C3_2 | 1.429 (6) | C8_6—H81_6 | 0.9700 |
O3_2—C5_2 | 1.419 (6) | C8_6—H82_6 | 0.9700 |
O3_2—C4_2 | 1.422 (7) | C9_6—C10_6 | 1.486 (8) |
O4_2—C7_2 | 1.421 (8) | C9_6—H91_6 | 0.9700 |
O4_2—C6_2 | 1.443 (7) | C9_6—H92_6 | 0.9700 |
O5_2—C9_2 | 1.404 (6) | C10_6—H101_6 | 0.9700 |
O5_2—C8_2 | 1.413 (7) | C10_6—H102_6 | 0.9700 |
C1_2—C2_2 | 1.503 (8) | O6_7—Zn7_7 | 1.950 (5) |
C1_2—H11_2 | 0.9700 | O6_7—Zn10_10 | 2.027 (6) |
C1_2—H12_2 | 0.9700 | O6_7—H1W_7 | 0.820 (10) |
C2_2—H21_2 | 0.9700 | O6_7—H2W_7 | 0.820 (10) |
C2_2—H22_2 | 0.9700 | O7_7—Zn10_10 | 1.985 (6) |
C3_2—C4_2 | 1.502 (8) | O7_7—Zn7_7 | 2.052 (5) |
C3_2—H31_2 | 0.9700 | O7_7—H3W_7 | 0.819 (10) |
C3_2—H32_2 | 0.9700 | O7_7—H4W_7 | 0.814 (10) |
C4_2—H41_2 | 0.9700 | Zn7_7—O5_7 | 2.164 (5) |
C4_2—H42_2 | 0.9700 | Zn7_7—O2_7 | 2.199 (6) |
C5_2—C6_2 | 1.486 (9) | Zn7_7—O3_7 | 2.209 (5) |
C5_2—H51_2 | 0.9700 | Zn7_7—O4_7 | 2.269 (6) |
C5_2—H52_2 | 0.9700 | Zn7_7—O1_7 | 2.289 (5) |
C6_2—H61_2 | 0.9700 | O1_7—C1_7 | 1.427 (9) |
C6_2—H62_2 | 0.9700 | O1_7—C10_7 | 1.441 (7) |
C7_2—C8_2 | 1.481 (8) | O1_7—H5B_10 | 1.4572 |
C7_2—H71_2 | 0.9700 | O2_7—C3_7 | 1.430 (8) |
C7_2—H72_2 | 0.9700 | O2_7—C2_7 | 1.430 (8) |
C8_2—H81_2 | 0.9700 | O3_7—C5_7 | 1.400 (8) |
C8_2—H82_2 | 0.9700 | O3_7—C4_7 | 1.426 (8) |
C9_2—C10_2 | 1.508 (8) | O3_7—H10A_10 | 1.4782 |
C9_2—H91_2 | 0.9700 | O4_7—C7_7 | 1.430 (9) |
C9_2—H92_2 | 0.9700 | O4_7—C6_7 | 1.455 (8) |
C10_2—H101_2 | 0.9700 | O5_7—C8_7 | 1.410 (8) |
C10_2—H102_2 | 0.9700 | O5_7—C9_7 | 1.420 (8) |
O6_3—Zn3_3 | 2.007 (6) | C1_7—C2_7 | 1.501 (10) |
O6_3—Zn9_9 | 2.105 (6) | C1_7—H11_7 | 0.9700 |
O6_3—H1W_3 | 0.818 (10) | C1_7—H12_7 | 0.9700 |
O6_3—H2W_3 | 0.812 (10) | C1_7—H6A_10 | 1.0361 |
O7_3—Zn9_9 | 1.916 (6) | C1_7—H6B_10 | 1.2556 |
O7_3—Zn3_3 | 2.007 (6) | C2_7—H21_7 | 0.9700 |
O7_3—H3W_3 | 0.817 (10) | C2_7—H22_7 | 0.9700 |
O7_3—H4W_3 | 0.817 (10) | C2_7—H7B_10 | 0.9856 |
Zn3_3—O5_3 | 2.165 (5) | C3_7—C4_7 | 1.509 (9) |
Zn3_3—O2_3 | 2.209 (6) | C3_7—H31_7 | 0.9700 |
Zn3_3—O3_3 | 2.232 (5) | C3_7—H32_7 | 0.9700 |
Zn3_3—O1_3 | 2.266 (5) | C3_7—H8A_10 | 0.8861 |
Zn3_3—O4_3 | 2.269 (5) | C3_7—H8B_10 | 1.0648 |
O1_3—C10_3 | 1.436 (8) | C4_7—H41_7 | 0.9700 |
O1_3—C1_3 | 1.439 (9) | C4_7—H42_7 | 0.9700 |
O2_3—C2_3 | 1.422 (8) | C4_7—H9A_10 | 1.1060 |
O2_3—C3_3 | 1.432 (8) | C4_7—H9B_10 | 0.9187 |
O3_3—C5_3 | 1.416 (8) | C5_7—C6_7 | 1.504 (11) |
O3_3—C4_3 | 1.440 (8) | C5_7—H51_7 | 0.9700 |
O3_3—H10B_9 | 1.4232 | C5_7—H52_7 | 0.9700 |
O4_3—C7_3 | 1.418 (9) | C5_7—H10B_10 | 0.9351 |
O4_3—C6_3 | 1.431 (8) | C6_7—H61_7 | 0.9700 |
O5_3—C9_3 | 1.423 (8) | C6_7—H62_7 | 0.9700 |
O5_3—C8_3 | 1.431 (8) | C6_7—H1A_10 | 1.0786 |
C1_3—C2_3 | 1.498 (10) | C6_7—H1B_10 | 1.2508 |
C1_3—H11_3 | 0.9700 | C7_7—C8_7 | 1.467 (10) |
C1_3—H12_3 | 0.9700 | C7_7—H71_7 | 0.9700 |
C1_3—H6A_9 | 1.1897 | C7_7—H72_7 | 0.9700 |
C1_3—H6B_9 | 1.1630 | C7_7—H2A_10 | 1.0781 |
C2_3—H21_3 | 0.9700 | C8_7—H81_7 | 0.9700 |
C2_3—H22_3 | 0.9700 | C8_7—H82_7 | 0.9700 |
C2_3—H7A_9 | 0.9284 | C8_7—H3A_10 | 1.3434 |
C3_3—C4_3 | 1.500 (9) | C8_7—H3B_10 | 0.9971 |
C3_3—H31_3 | 0.9700 | C9_7—C10_7 | 1.488 (10) |
C3_3—H32_3 | 0.9700 | C9_7—H91_7 | 0.9700 |
C3_3—H8A_9 | 1.0277 | C9_7—H92_7 | 0.9700 |
C3_3—H8B_9 | 1.0083 | C9_7—H4A_10 | 1.1850 |
C4_3—H41_3 | 0.9700 | C9_7—H4B_10 | 1.0915 |
C4_3—H42_3 | 0.9700 | C10_7—H101_7 | 0.9700 |
C4_3—H9A_9 | 0.8026 | C10_7—H102_7 | 0.9700 |
C4_3—H9B_9 | 1.1351 | C10_7—H5A_10 | 1.0687 |
C5_3—C6_3 | 1.492 (10) | Zn10_10—O5_10 | 2.1118 |
C5_3—H51_3 | 0.9700 | Zn10_10—O2_10 | 2.1665 |
C5_3—H52_3 | 0.9700 | Zn10_10—O3_10 | 2.1836 |
C5_3—H10A_9 | 0.9271 | Zn10_10—O4_10 | 2.2340 |
C6_3—H61_3 | 0.9700 | Zn10_10—O1_10 | 2.2461 |
C6_3—H62_3 | 0.9700 | O1_10—C10_10 | 1.4134 |
C6_3—H1A_9 | 1.2215 | O1_10—C1_10 | 1.4548 |
C6_3—H1B_9 | 1.0009 | O2_10—C3_10 | 1.4094 |
C7_3—C8_3 | 1.468 (10) | O2_10—C2_10 | 1.4206 |
C7_3—H71_3 | 0.9700 | O3_10—C4_10 | 1.4359 |
C7_3—H72_3 | 0.9700 | O3_10—C5_10 | 1.4648 |
C7_3—H2B_9 | 1.0907 | O4_10—C7_10 | 1.4046 |
C8_3—H81_3 | 0.9700 | O4_10—C6_10 | 1.4269 |
C8_3—H82_3 | 0.9700 | O5_10—C9_10 | 1.4140 |
C8_3—H3A_9 | 1.0026 | O5_10—C8_10 | 1.4163 |
C8_3—H3B_9 | 1.4656 | C1_10—C2_10 | 1.5176 |
C9_3—C10_3 | 1.496 (10) | C1_10—H1A_10 | 0.9778 |
C9_3—H91_3 | 0.9700 | C1_10—H1B_10 | 0.9688 |
C9_3—H92_3 | 0.9700 | C2_10—H2A_10 | 0.9660 |
C9_3—H4A_9 | 1.0702 | C2_10—H2B_10 | 0.9700 |
C9_3—H4B_9 | 1.2472 | C3_10—C4_10 | 1.5191 |
C10_3—H101_3 | 0.9700 | C3_10—H3A_10 | 0.9685 |
C10_3—H102_3 | 0.9700 | C3_10—H3B_10 | 0.9658 |
C10_3—H5B_9 | 1.1131 | C4_10—H4A_10 | 0.9682 |
Zn9_9—O5_9 | 2.0946 | C4_10—H4B_10 | 0.9668 |
Zn9_9—O2_9 | 2.1722 | C5_10—C6_10 | 1.4735 |
Zn9_9—O3_9 | 2.2015 | C5_10—H5A_10 | 0.9675 |
Zn9_9—O1_9 | 2.2333 | C5_10—H5B_10 | 0.9688 |
Zn9_9—O4_9 | 2.2366 | C6_10—H6A_10 | 0.9783 |
O1_9—C1_9 | 1.4157 | C6_10—H6B_10 | 0.9683 |
O1_9—C10_9 | 1.4414 | C7_10—C8_10 | 1.5243 |
O2_9—C3_9 | 1.4292 | C7_10—H7A_10 | 0.9692 |
O2_9—C2_9 | 1.4628 | C7_10—H7B_10 | 0.9770 |
O3_9—C5_9 | 1.4050 | C8_10—H8A_10 | 0.9717 |
O3_9—C4_9 | 1.4212 | C8_10—H8B_10 | 0.9664 |
O4_9—C6_9 | 1.4098 | C9_10—C10_10 | 1.4858 |
O4_9—C7_9 | 1.4276 | C9_10—H9A_10 | 0.9706 |
O5_9—C9_9 | 1.4307 | C9_10—H9B_10 | 0.9682 |
O5_9—C8_9 | 1.4343 | C10_10—H10A_10 | 0.9695 |
C1_9—C2_9 | 1.4600 | C10_10—H10B_10 | 0.9759 |
C1_9—H1A_9 | 0.9678 | O6_8—Zn8_8 | 1.990 (6) |
C1_9—H1B_9 | 0.9775 | O6_8—H1W_8 | 0.821 (10) |
C2_9—H2A_9 | 0.9695 | O6_8—H2W_8 | 0.818 (10) |
C2_9—H2B_9 | 0.9665 | O7_8—Zn8_8 | 2.007 (6) |
C3_9—C4_9 | 1.5017 | O7_8—H3W_8 | 0.824 (10) |
C3_9—H3A_9 | 0.9666 | O7_8—H4W_8 | 0.821 (10) |
C3_9—H3B_9 | 0.9675 | Zn8_8—O5_8 | 2.133 (4) |
C4_9—H4A_9 | 0.9669 | Zn8_8—O2_8 | 2.206 (5) |
C4_9—H4B_9 | 0.9673 | Zn8_8—O3_8 | 2.223 (4) |
C5_9—C6_9 | 1.5175 | Zn8_8—O4_8 | 2.261 (4) |
C5_9—H5A_9 | 0.9680 | Zn8_8—O1_8 | 2.283 (4) |
C5_9—H5B_9 | 0.9674 | O1_8—C1_8 | 1.419 (7) |
C6_9—H6A_9 | 0.9671 | O1_8—C10_8 | 1.421 (6) |
C6_9—H6B_9 | 0.9789 | O2_8—C2_8 | 1.419 (6) |
C7_9—C8_9 | 1.4401 | O2_8—C3_8 | 1.427 (6) |
C7_9—H7A_9 | 0.9774 | O3_8—C4_8 | 1.420 (7) |
C7_9—H7B_9 | 0.9686 | O3_8—C5_8 | 1.424 (6) |
C8_9—H8A_9 | 0.9656 | O4_8—C7_8 | 1.407 (7) |
C8_9—H8B_9 | 0.9708 | O4_8—C6_8 | 1.451 (7) |
C9_9—C10_9 | 1.4950 | O5_8—C8_8 | 1.417 (7) |
C9_9—H9A_9 | 0.9679 | O5_8—C9_8 | 1.422 (6) |
C9_9—H9B_9 | 0.9697 | C1_8—C2_8 | 1.507 (8) |
C10_9—H10A_9 | 0.9763 | C1_8—H11_8 | 0.9700 |
C10_9—H10B_9 | 0.9687 | C1_8—H12_8 | 0.9700 |
O6_4—Zn4_4 | 2.041 (5) | C2_8—H21_8 | 0.9700 |
O6_4—H1W_4 | 0.822 (10) | C2_8—H22_8 | 0.9700 |
O6_4—H2W_4 | 0.821 (10) | C3_8—C4_8 | 1.513 (7) |
O7_4—Zn4_4 | 1.978 (5) | C3_8—H31_8 | 0.9700 |
O7_4—H3W_4 | 0.815 (10) | C3_8—H32_8 | 0.9700 |
O7_4—H4W_4 | 0.811 (10) | C4_8—H41_8 | 0.9700 |
Zn4_4—O5_4 | 2.130 (4) | C4_8—H42_8 | 0.9700 |
Zn4_4—O2_4 | 2.210 (5) | C5_8—C6_8 | 1.484 (9) |
Zn4_4—O3_4 | 2.229 (4) | C5_8—H51_8 | 0.9700 |
Zn4_4—O1_4 | 2.242 (4) | C5_8—H52_8 | 0.9700 |
Zn4_4—O4_4 | 2.265 (4) | C6_8—H61_8 | 0.9700 |
O1_4—C10_4 | 1.431 (6) | C6_8—H62_8 | 0.9700 |
O1_4—C1_4 | 1.441 (7) | C7_8—C8_8 | 1.498 (8) |
O2_4—C2_4 | 1.417 (6) | C7_8—H71_8 | 0.9700 |
O2_4—C3_4 | 1.431 (6) | C7_8—H72_8 | 0.9700 |
O3_4—C4_4 | 1.419 (7) | C8_8—H81_8 | 0.9700 |
O3_4—C5_4 | 1.426 (6) | C8_8—H82_8 | 0.9700 |
O4_4—C7_4 | 1.411 (7) | C9_8—C10_8 | 1.494 (8) |
O4_4—C6_4 | 1.418 (7) | C9_8—H91_8 | 0.9700 |
O5_4—C9_4 | 1.429 (6) | C9_8—H92_8 | 0.9700 |
O5_4—C8_4 | 1.434 (7) | C10_8—H101_8 | 0.9700 |
C1_4—C2_4 | 1.501 (8) | C10_8—H102_8 | 0.9700 |
C1_4—H11_4 | 0.9700 | N1_11—O8_11 | 1.215 (6) |
C1_4—H12_4 | 0.9700 | N1_11—O10_11 | 1.226 (6) |
C2_4—H21_4 | 0.9700 | N1_11—O9_11 | 1.232 (6) |
C2_4—H22_4 | 0.9700 | N2_12—O10_12 | 1.212 (6) |
C3_4—C4_4 | 1.508 (7) | N2_12—O8_12 | 1.237 (6) |
C3_4—H31_4 | 0.9700 | N2_12—O9_12 | 1.239 (6) |
C3_4—H32_4 | 0.9700 | N3_13—O9_13 | 1.224 (6) |
C4_4—H41_4 | 0.9700 | N3_13—O10_13 | 1.229 (6) |
C4_4—H42_4 | 0.9700 | N3_13—O8_13 | 1.231 (6) |
C5_4—C6_4 | 1.485 (9) | N4_14—O8_14 | 1.210 (6) |
C5_4—H51_4 | 0.9700 | N4_14—O10_14 | 1.225 (6) |
C5_4—H52_4 | 0.9700 | N4_14—O9_14 | 1.249 (6) |
C6_4—H61_4 | 0.9700 | N5_15—O10_15 | 1.214 (6) |
C6_4—H62_4 | 0.9700 | N5_15—O9_15 | 1.221 (6) |
C7_4—C8_4 | 1.484 (8) | N5_15—O8_15 | 1.242 (6) |
C7_4—H71_4 | 0.9700 | N6_16—O8_16 | 1.220 (7) |
C7_4—H72_4 | 0.9700 | N6_16—O10_16 | 1.225 (6) |
C8_4—H81_4 | 0.9700 | N6_16—O9_16 | 1.227 (6) |
C8_4—H82_4 | 0.9700 | N7_17—O10_17 | 1.201 (6) |
C9_4—C10_4 | 1.491 (8) | N7_17—O8_17 | 1.231 (6) |
C9_4—H91_4 | 0.9700 | N7_17—O9_17 | 1.252 (6) |
C9_4—H92_4 | 0.9700 | N8_18—O10_18 | 1.226 (6) |
C10_4—H101_4 | 0.9700 | N8_18—O9_18 | 1.231 (6) |
C10_4—H102_4 | 0.9700 | N8_18—O8_18 | 1.240 (6) |
O6_5—Zn5_5 | 1.987 (6) | N9_19—O10_19 | 1.219 (6) |
O6_5—H1W_5 | 0.813 (10) | N9_19—O8_19 | 1.224 (6) |
O6_5—H2W_5 | 0.816 (10) | N9_19—O9_19 | 1.237 (6) |
O7_5—Zn5_5 | 2.011 (6) | N10_20—O8_20 | 1.209 (6) |
O7_5—H3W_5 | 0.815 (10) | N10_20—O9_20 | 1.224 (6) |
O7_5—H4W_5 | 0.818 (10) | N10_20—O10_20 | 1.225 (6) |
Zn5_5—O5_5 | 2.147 (4) | N11_21—O8_21 | 1.209 (6) |
Zn5_5—O2_5 | 2.202 (5) | N11_21—O10_21 | 1.214 (6) |
Zn5_5—O3_5 | 2.220 (4) | N11_21—O9_21 | 1.253 (6) |
Zn5_5—O4_5 | 2.278 (4) | N12_22—O8_22 | 1.223 (6) |
Zn5_5—O1_5 | 2.291 (3) | N12_22—O9_22 | 1.237 (6) |
O1_5—C1_5 | 1.424 (7) | N12_22—O10_22 | 1.242 (6) |
O1_5—C10_5 | 1.428 (6) | N13_23—O8_23 | 1.210 (6) |
O2_5—C2_5 | 1.434 (6) | N13_23—O10_23 | 1.225 (6) |
O2_5—C3_5 | 1.449 (7) | N13_23—O9_23 | 1.237 (6) |
O3_5—C4_5 | 1.423 (7) | N14_24—O8_24 | 1.226 (6) |
O3_5—C5_5 | 1.433 (6) | N14_24—O10_24 | 1.228 (6) |
O4_5—C7_5 | 1.398 (7) | N14_24—O9_24 | 1.243 (6) |
O4_5—C6_5 | 1.454 (7) | N15_25—O8_25 | 1.215 (6) |
O5_5—C9_5 | 1.411 (6) | N15_25—O9_25 | 1.227 (6) |
O5_5—C8_5 | 1.419 (7) | N15_25—O10_25 | 1.230 (6) |
C1_5—C2_5 | 1.501 (8) | N16_26—O8_26 | 1.198 (7) |
C1_5—H11_5 | 0.9700 | N16_26—O10_26 | 1.220 (6) |
C1_5—H12_5 | 0.9700 | N16_26—O9_26 | 1.241 (6) |
C2_5—H21_5 | 0.9700 | ||
Zn1_1—O6_1—H1W_1 | 119 (5) | O2_5—Zn5_5—O1_5 | 72.80 (15) |
Zn1_1—O6_1—H2W_1 | 122 (5) | O3_5—Zn5_5—O1_5 | 144.13 (16) |
H1W_1—O6_1—H2W_1 | 106 (2) | O4_5—Zn5_5—O1_5 | 141.58 (16) |
Zn1_1—O7_1—H3W_1 | 125 (5) | C1_5—O1_5—C10_5 | 114.1 (5) |
Zn1_1—O7_1—H4W_1 | 118 (5) | C1_5—O1_5—Zn5_5 | 110.7 (3) |
H3W_1—O7_1—H4W_1 | 107 (2) | C10_5—O1_5—Zn5_5 | 109.7 (3) |
O7_1—Zn1_1—O6_1 | 177.7 (3) | C2_5—O2_5—C3_5 | 115.0 (5) |
O7_1—Zn1_1—O5_1 | 89.3 (2) | C2_5—O2_5—Zn5_5 | 115.5 (4) |
O6_1—Zn1_1—O5_1 | 88.7 (2) | C3_5—O2_5—Zn5_5 | 113.8 (4) |
O7_1—Zn1_1—O2_1 | 84.2 (2) | C4_5—O3_5—C5_5 | 115.1 (5) |
O6_1—Zn1_1—O2_1 | 98.1 (2) | C4_5—O3_5—Zn5_5 | 114.3 (4) |
O5_1—Zn1_1—O2_1 | 143.85 (16) | C5_5—O3_5—Zn5_5 | 111.4 (3) |
O7_1—Zn1_1—O3_1 | 95.5 (2) | C7_5—O4_5—C6_5 | 116.4 (6) |
O6_1—Zn1_1—O3_1 | 85.5 (2) | C7_5—O4_5—Zn5_5 | 111.5 (4) |
O5_1—Zn1_1—O3_1 | 143.49 (17) | C6_5—O4_5—Zn5_5 | 110.9 (4) |
O2_1—Zn1_1—O3_1 | 72.64 (16) | C9_5—O5_5—C8_5 | 117.1 (5) |
O7_1—Zn1_1—O1_1 | 91.3 (2) | C9_5—O5_5—Zn5_5 | 120.3 (4) |
O6_1—Zn1_1—O1_1 | 89.0 (2) | C8_5—O5_5—Zn5_5 | 122.2 (3) |
O5_1—Zn1_1—O1_1 | 71.35 (14) | O1_5—C1_5—C2_5 | 107.8 (6) |
O2_1—Zn1_1—O1_1 | 73.31 (15) | O1_5—C1_5—H11_5 | 110.1 |
O3_1—Zn1_1—O1_1 | 144.32 (16) | C2_5—C1_5—H11_5 | 110.1 |
O7_1—Zn1_1—O4_1 | 87.2 (2) | O1_5—C1_5—H12_5 | 110.1 |
O6_1—Zn1_1—O4_1 | 91.1 (2) | C2_5—C1_5—H12_5 | 110.1 |
O5_1—Zn1_1—O4_1 | 71.12 (15) | H11_5—C1_5—H12_5 | 108.5 |
O2_1—Zn1_1—O4_1 | 143.49 (15) | O2_5—C2_5—C1_5 | 105.4 (5) |
O3_1—Zn1_1—O4_1 | 72.99 (15) | O2_5—C2_5—H21_5 | 110.7 |
O1_1—Zn1_1—O4_1 | 142.45 (16) | C1_5—C2_5—H21_5 | 110.7 |
C10_1—O1_1—C1_1 | 113.7 (5) | O2_5—C2_5—H22_5 | 110.7 |
C10_1—O1_1—Zn1_1 | 112.4 (3) | C1_5—C2_5—H22_5 | 110.7 |
C1_1—O1_1—Zn1_1 | 112.7 (3) | H21_5—C2_5—H22_5 | 108.8 |
C3_1—O2_1—C2_1 | 114.7 (5) | O2_5—C3_5—C4_5 | 106.0 (5) |
C3_1—O2_1—Zn1_1 | 114.7 (4) | O2_5—C3_5—H31_5 | 110.5 |
C2_1—O2_1—Zn1_1 | 114.5 (4) | C4_5—C3_5—H31_5 | 110.5 |
C5_1—O3_1—C4_1 | 113.9 (5) | O2_5—C3_5—H32_5 | 110.5 |
C5_1—O3_1—Zn1_1 | 113.2 (3) | C4_5—C3_5—H32_5 | 110.5 |
C4_1—O3_1—Zn1_1 | 113.8 (4) | H31_5—C3_5—H32_5 | 108.7 |
C6_1—O4_1—C7_1 | 116.7 (6) | O3_5—C4_5—C3_5 | 106.3 (5) |
C6_1—O4_1—Zn1_1 | 112.5 (4) | O3_5—C4_5—H41_5 | 110.5 |
C7_1—O4_1—Zn1_1 | 111.8 (4) | C3_5—C4_5—H41_5 | 110.5 |
C8_1—O5_1—C9_1 | 117.5 (5) | O3_5—C4_5—H42_5 | 110.5 |
C8_1—O5_1—Zn1_1 | 121.8 (3) | C3_5—C4_5—H42_5 | 110.5 |
C9_1—O5_1—Zn1_1 | 120.4 (3) | H41_5—C4_5—H42_5 | 108.7 |
O1_1—C1_1—C2_1 | 106.0 (6) | O3_5—C5_5—C6_5 | 107.6 (6) |
O1_1—C1_1—H11_1 | 110.5 | O3_5—C5_5—H51_5 | 110.2 |
C2_1—C1_1—H11_1 | 110.5 | C6_5—C5_5—H51_5 | 110.2 |
O1_1—C1_1—H12_1 | 110.5 | O3_5—C5_5—H52_5 | 110.2 |
C2_1—C1_1—H12_1 | 110.5 | C6_5—C5_5—H52_5 | 110.2 |
H11_1—C1_1—H12_1 | 108.7 | H51_5—C5_5—H52_5 | 108.5 |
O2_1—C2_1—C1_1 | 106.9 (5) | O4_5—C6_5—C5_5 | 106.9 (6) |
O2_1—C2_1—H21_1 | 110.3 | O4_5—C6_5—H61_5 | 110.3 |
C1_1—C2_1—H21_1 | 110.3 | C5_5—C6_5—H61_5 | 110.3 |
O2_1—C2_1—H22_1 | 110.3 | O4_5—C6_5—H62_5 | 110.3 |
C1_1—C2_1—H22_1 | 110.3 | C5_5—C6_5—H62_5 | 110.3 |
H21_1—C2_1—H22_1 | 108.6 | H61_5—C6_5—H62_5 | 108.6 |
O2_1—C3_1—C4_1 | 105.6 (5) | O4_5—C7_5—C8_5 | 108.4 (6) |
O2_1—C3_1—H31_1 | 110.6 | O4_5—C7_5—H71_5 | 110.0 |
C4_1—C3_1—H31_1 | 110.6 | C8_5—C7_5—H71_5 | 110.0 |
O2_1—C3_1—H32_1 | 110.6 | O4_5—C7_5—H72_5 | 110.0 |
C4_1—C3_1—H32_1 | 110.6 | C8_5—C7_5—H72_5 | 110.0 |
H31_1—C3_1—H32_1 | 108.7 | H71_5—C7_5—H72_5 | 108.4 |
O3_1—C4_1—C3_1 | 105.6 (5) | O5_5—C8_5—C7_5 | 107.2 (5) |
O3_1—C4_1—H41_1 | 110.6 | O5_5—C8_5—H81_5 | 110.3 |
C3_1—C4_1—H41_1 | 110.6 | C7_5—C8_5—H81_5 | 110.3 |
O3_1—C4_1—H42_1 | 110.6 | O5_5—C8_5—H82_5 | 110.3 |
C3_1—C4_1—H42_1 | 110.6 | C7_5—C8_5—H82_5 | 110.3 |
H41_1—C4_1—H42_1 | 108.8 | H81_5—C8_5—H82_5 | 108.5 |
O3_1—C5_1—C6_1 | 105.7 (5) | O5_5—C9_5—C10_5 | 106.2 (5) |
O3_1—C5_1—H51_1 | 110.6 | O5_5—C9_5—H91_5 | 110.5 |
C6_1—C5_1—H51_1 | 110.6 | C10_5—C9_5—H91_5 | 110.5 |
O3_1—C5_1—H52_1 | 110.6 | O5_5—C9_5—H92_5 | 110.5 |
C6_1—C5_1—H52_1 | 110.6 | C10_5—C9_5—H92_5 | 110.5 |
H51_1—C5_1—H52_1 | 108.7 | H91_5—C9_5—H92_5 | 108.7 |
O4_1—C6_1—C5_1 | 109.1 (6) | O1_5—C10_5—C9_5 | 105.3 (5) |
O4_1—C6_1—H61_1 | 109.9 | O1_5—C10_5—H101_5 | 110.7 |
C5_1—C6_1—H61_1 | 109.9 | C9_5—C10_5—H101_5 | 110.7 |
O4_1—C6_1—H62_1 | 109.9 | O1_5—C10_5—H102_5 | 110.7 |
C5_1—C6_1—H62_1 | 109.9 | C9_5—C10_5—H102_5 | 110.7 |
H61_1—C6_1—H62_1 | 108.3 | H101_5—C10_5—H102_5 | 108.8 |
O4_1—C7_1—C8_1 | 108.5 (6) | Zn6_6—O6_6—H1W_6 | 116 (5) |
O4_1—C7_1—H71_1 | 110.0 | Zn6_6—O6_6—H2W_6 | 120 (5) |
C8_1—C7_1—H71_1 | 110.0 | H1W_6—O6_6—H2W_6 | 103 (2) |
O4_1—C7_1—H72_1 | 110.0 | Zn6_6—O7_6—H3W_6 | 125 (5) |
C8_1—C7_1—H72_1 | 110.0 | Zn6_6—O7_6—H4W_6 | 129 (5) |
H71_1—C7_1—H72_1 | 108.4 | H3W_6—O7_6—H4W_6 | 106 (2) |
O5_1—C8_1—C7_1 | 108.9 (5) | O7_6—Zn6_6—O6_6 | 177.5 (3) |
O5_1—C8_1—H81_1 | 109.9 | O7_6—Zn6_6—O5_6 | 89.3 (2) |
C7_1—C8_1—H81_1 | 109.9 | O6_6—Zn6_6—O5_6 | 88.4 (2) |
O5_1—C8_1—H82_1 | 109.9 | O7_6—Zn6_6—O2_6 | 83.9 (2) |
C7_1—C8_1—H82_1 | 109.9 | O6_6—Zn6_6—O2_6 | 98.6 (2) |
H81_1—C8_1—H82_1 | 108.3 | O5_6—Zn6_6—O2_6 | 143.99 (16) |
O5_1—C9_1—C10_1 | 107.4 (5) | O7_6—Zn6_6—O3_6 | 95.8 (2) |
O5_1—C9_1—H91_1 | 110.2 | O6_6—Zn6_6—O3_6 | 85.5 (2) |
C10_1—C9_1—H91_1 | 110.2 | O5_6—Zn6_6—O3_6 | 143.42 (18) |
O5_1—C9_1—H92_1 | 110.2 | O2_6—Zn6_6—O3_6 | 72.57 (16) |
C10_1—C9_1—H92_1 | 110.2 | O7_6—Zn6_6—O1_6 | 91.3 (2) |
H91_1—C9_1—H92_1 | 108.5 | O6_6—Zn6_6—O1_6 | 88.9 (2) |
O1_1—C10_1—C9_1 | 106.5 (5) | O5_6—Zn6_6—O1_6 | 71.48 (15) |
O1_1—C10_1—H101_1 | 110.4 | O2_6—Zn6_6—O1_6 | 73.38 (15) |
C9_1—C10_1—H101_1 | 110.4 | O3_6—Zn6_6—O1_6 | 144.20 (16) |
O1_1—C10_1—H102_1 | 110.4 | O7_6—Zn6_6—O4_6 | 87.3 (2) |
C9_1—C10_1—H102_1 | 110.4 | O6_6—Zn6_6—O4_6 | 91.0 (2) |
H101_1—C10_1—H102_1 | 108.6 | O5_6—Zn6_6—O4_6 | 71.26 (15) |
Zn2_2—O6_2—H1W_2 | 125 (5) | O2_6—Zn6_6—O4_6 | 143.12 (16) |
Zn2_2—O6_2—H2W_2 | 120 (4) | O3_6—Zn6_6—O4_6 | 72.82 (16) |
H1W_2—O6_2—H2W_2 | 106 (2) | O1_6—Zn6_6—O4_6 | 142.73 (16) |
Zn2_2—O7_2—H3W_2 | 122 (5) | C10_6—O1_6—C1_6 | 113.1 (5) |
Zn2_2—O7_2—H4W_2 | 116 (5) | C10_6—O1_6—Zn6_6 | 112.4 (3) |
H3W_2—O7_2—H4W_2 | 111 (3) | C1_6—O1_6—Zn6_6 | 111.8 (4) |
O6_2—Zn2_2—O7_2 | 178.5 (3) | C3_6—O2_6—C2_6 | 115.9 (5) |
O6_2—Zn2_2—O5_2 | 90.4 (2) | C3_6—O2_6—Zn6_6 | 115.0 (4) |
O7_2—Zn2_2—O5_2 | 89.4 (2) | C2_6—O2_6—Zn6_6 | 113.9 (4) |
O6_2—Zn2_2—O2_2 | 95.4 (2) | C5_6—O3_6—C4_6 | 114.8 (5) |
O7_2—Zn2_2—O2_2 | 83.9 (2) | C5_6—O3_6—Zn6_6 | 113.2 (3) |
O5_2—Zn2_2—O2_2 | 143.34 (16) | C4_6—O3_6—Zn6_6 | 113.1 (4) |
O6_2—Zn2_2—O3_2 | 85.0 (2) | C6_6—O4_6—C7_6 | 116.0 (6) |
O7_2—Zn2_2—O3_2 | 96.1 (2) | C6_6—O4_6—Zn6_6 | 112.7 (4) |
O5_2—Zn2_2—O3_2 | 143.88 (17) | C7_6—O4_6—Zn6_6 | 110.9 (4) |
O2_2—Zn2_2—O3_2 | 72.76 (16) | C8_6—O5_6—C9_6 | 118.5 (5) |
O6_2—Zn2_2—O4_2 | 93.0 (2) | C8_6—O5_6—Zn6_6 | 121.2 (3) |
O7_2—Zn2_2—O4_2 | 88.3 (2) | C9_6—O5_6—Zn6_6 | 120.1 (4) |
O5_2—Zn2_2—O4_2 | 71.03 (15) | O1_6—C1_6—C2_6 | 106.3 (6) |
O2_2—Zn2_2—O4_2 | 144.25 (16) | O1_6—C1_6—H11_6 | 110.5 |
O3_2—Zn2_2—O4_2 | 73.48 (16) | C2_6—C1_6—H11_6 | 110.5 |
O6_2—Zn2_2—O1_2 | 87.0 (2) | O1_6—C1_6—H12_6 | 110.5 |
O7_2—Zn2_2—O1_2 | 91.6 (2) | C2_6—C1_6—H12_6 | 110.5 |
O5_2—Zn2_2—O1_2 | 71.31 (15) | H11_6—C1_6—H12_6 | 108.7 |
O2_2—Zn2_2—O1_2 | 72.90 (15) | O2_6—C2_6—C1_6 | 107.4 (5) |
O3_2—Zn2_2—O1_2 | 143.73 (16) | O2_6—C2_6—H21_6 | 110.2 |
O4_2—Zn2_2—O1_2 | 142.34 (16) | C1_6—C2_6—H21_6 | 110.2 |
C10_2—O1_2—C1_2 | 114.2 (5) | O2_6—C2_6—H22_6 | 110.2 |
C10_2—O1_2—Zn2_2 | 109.6 (3) | C1_6—C2_6—H22_6 | 110.2 |
C1_2—O1_2—Zn2_2 | 109.8 (4) | H21_6—C2_6—H22_6 | 108.5 |
C2_2—O2_2—C3_2 | 116.1 (5) | O2_6—C3_6—C4_6 | 105.9 (5) |
C2_2—O2_2—Zn2_2 | 114.7 (4) | O2_6—C3_6—H31_6 | 110.6 |
C3_2—O2_2—Zn2_2 | 114.6 (4) | C4_6—C3_6—H31_6 | 110.6 |
C5_2—O3_2—C4_2 | 115.5 (5) | O2_6—C3_6—H32_6 | 110.6 |
C5_2—O3_2—Zn2_2 | 112.4 (3) | C4_6—C3_6—H32_6 | 110.6 |
C4_2—O3_2—Zn2_2 | 114.4 (4) | H31_6—C3_6—H32_6 | 108.7 |
C7_2—O4_2—C6_2 | 115.2 (6) | O3_6—C4_6—C3_6 | 107.0 (5) |
C7_2—O4_2—Zn2_2 | 110.3 (4) | O3_6—C4_6—H41_6 | 110.3 |
C6_2—O4_2—Zn2_2 | 111.7 (4) | C3_6—C4_6—H41_6 | 110.3 |
C9_2—O5_2—C8_2 | 117.3 (5) | O3_6—C4_6—H42_6 | 110.3 |
C9_2—O5_2—Zn2_2 | 120.7 (4) | C3_6—C4_6—H42_6 | 110.3 |
C8_2—O5_2—Zn2_2 | 121.7 (3) | H41_6—C4_6—H42_6 | 108.6 |
O1_2—C1_2—C2_2 | 106.9 (6) | O3_6—C5_6—C6_6 | 106.6 (6) |
O1_2—C1_2—H11_2 | 110.3 | O3_6—C5_6—H51_6 | 110.4 |
C2_2—C1_2—H11_2 | 110.3 | C6_6—C5_6—H51_6 | 110.4 |
O1_2—C1_2—H12_2 | 110.3 | O3_6—C5_6—H52_6 | 110.4 |
C2_2—C1_2—H12_2 | 110.3 | C6_6—C5_6—H52_6 | 110.4 |
H11_2—C1_2—H12_2 | 108.6 | H51_6—C5_6—H52_6 | 108.6 |
O2_2—C2_2—C1_2 | 106.5 (5) | O4_6—C6_6—C5_6 | 109.0 (6) |
O2_2—C2_2—H21_2 | 110.4 | O4_6—C6_6—H61_6 | 109.9 |
C1_2—C2_2—H21_2 | 110.4 | C5_6—C6_6—H61_6 | 109.9 |
O2_2—C2_2—H22_2 | 110.4 | O4_6—C6_6—H62_6 | 109.9 |
C1_2—C2_2—H22_2 | 110.4 | C5_6—C6_6—H62_6 | 109.9 |
H21_2—C2_2—H22_2 | 108.6 | H61_6—C6_6—H62_6 | 108.3 |
O2_2—C3_2—C4_2 | 106.5 (5) | O4_6—C7_6—C8_6 | 108.1 (6) |
O2_2—C3_2—H31_2 | 110.4 | O4_6—C7_6—H71_6 | 110.1 |
C4_2—C3_2—H31_2 | 110.4 | C8_6—C7_6—H71_6 | 110.1 |
O2_2—C3_2—H32_2 | 110.4 | O4_6—C7_6—H72_6 | 110.1 |
C4_2—C3_2—H32_2 | 110.4 | C8_6—C7_6—H72_6 | 110.1 |
H31_2—C3_2—H32_2 | 108.6 | H71_6—C7_6—H72_6 | 108.4 |
O3_2—C4_2—C3_2 | 106.6 (5) | O5_6—C8_6—C7_6 | 108.4 (6) |
O3_2—C4_2—H41_2 | 110.4 | O5_6—C8_6—H81_6 | 110.0 |
C3_2—C4_2—H41_2 | 110.4 | C7_6—C8_6—H81_6 | 110.0 |
O3_2—C4_2—H42_2 | 110.4 | O5_6—C8_6—H82_6 | 110.0 |
C3_2—C4_2—H42_2 | 110.4 | C7_6—C8_6—H82_6 | 110.0 |
H41_2—C4_2—H42_2 | 108.6 | H81_6—C8_6—H82_6 | 108.4 |
O3_2—C5_2—C6_2 | 107.7 (6) | O5_6—C9_6—C10_6 | 107.2 (5) |
O3_2—C5_2—H51_2 | 110.2 | O5_6—C9_6—H91_6 | 110.3 |
C6_2—C5_2—H51_2 | 110.2 | C10_6—C9_6—H91_6 | 110.3 |
O3_2—C5_2—H52_2 | 110.2 | O5_6—C9_6—H92_6 | 110.3 |
C6_2—C5_2—H52_2 | 110.2 | C10_6—C9_6—H92_6 | 110.3 |
H51_2—C5_2—H52_2 | 108.5 | H91_6—C9_6—H92_6 | 108.5 |
O4_2—C6_2—C5_2 | 106.2 (6) | O1_6—C10_6—C9_6 | 106.0 (5) |
O4_2—C6_2—H61_2 | 110.5 | O1_6—C10_6—H101_6 | 110.5 |
C5_2—C6_2—H61_2 | 110.5 | C9_6—C10_6—H101_6 | 110.5 |
O4_2—C6_2—H62_2 | 110.5 | O1_6—C10_6—H102_6 | 110.5 |
C5_2—C6_2—H62_2 | 110.5 | C9_6—C10_6—H102_6 | 110.5 |
H61_2—C6_2—H62_2 | 108.7 | H101_6—C10_6—H102_6 | 108.7 |
O4_2—C7_2—C8_2 | 108.2 (6) | Zn7_7—O6_7—Zn10_10 | 4.97 (10) |
O4_2—C7_2—H71_2 | 110.1 | Zn7_7—O6_7—H1W_7 | 114 (4) |
C8_2—C7_2—H71_2 | 110.1 | Zn10_10—O6_7—H1W_7 | 109 (4) |
O4_2—C7_2—H72_2 | 110.0 | Zn7_7—O6_7—H2W_7 | 127 (4) |
C8_2—C7_2—H72_2 | 110.0 | Zn10_10—O6_7—H2W_7 | 130 (4) |
H71_2—C7_2—H72_2 | 108.4 | H1W_7—O6_7—H2W_7 | 106 (2) |
O5_2—C8_2—C7_2 | 106.6 (6) | Zn10_10—O7_7—Zn7_7 | 5.02 (9) |
O5_2—C8_2—H81_2 | 110.4 | Zn10_10—O7_7—H3W_7 | 130 (5) |
C7_2—C8_2—H81_2 | 110.4 | Zn7_7—O7_7—H3W_7 | 125 (5) |
O5_2—C8_2—H82_2 | 110.4 | Zn10_10—O7_7—H4W_7 | 111 (5) |
C7_2—C8_2—H82_2 | 110.4 | Zn7_7—O7_7—H4W_7 | 116 (5) |
H81_2—C8_2—H82_2 | 108.6 | H3W_7—O7_7—H4W_7 | 107 (2) |
O5_2—C9_2—C10_2 | 106.6 (5) | O6_7—Zn7_7—O7_7 | 177.6 (3) |
O5_2—C9_2—H91_2 | 110.4 | O6_7—Zn7_7—O5_7 | 90.1 (2) |
C10_2—C9_2—H91_2 | 110.4 | O7_7—Zn7_7—O5_7 | 88.4 (2) |
O5_2—C9_2—H92_2 | 110.4 | O6_7—Zn7_7—O2_7 | 95.7 (2) |
C10_2—C9_2—H92_2 | 110.4 | O7_7—Zn7_7—O2_7 | 84.4 (2) |
H91_2—C9_2—H92_2 | 108.6 | O5_7—Zn7_7—O2_7 | 143.3 (2) |
O1_2—C10_2—C9_2 | 106.2 (5) | O6_7—Zn7_7—O3_7 | 85.5 (2) |
O1_2—C10_2—H101_2 | 110.5 | O7_7—Zn7_7—O3_7 | 96.9 (2) |
C9_2—C10_2—H101_2 | 110.5 | O5_7—Zn7_7—O3_7 | 143.6 (2) |
O1_2—C10_2—H102_2 | 110.5 | O2_7—Zn7_7—O3_7 | 73.1 (2) |
C9_2—C10_2—H102_2 | 110.5 | O6_7—Zn7_7—O4_7 | 92.8 (3) |
H101_2—C10_2—H102_2 | 108.7 | O7_7—Zn7_7—O4_7 | 88.5 (2) |
Zn3_3—O6_3—Zn9_9 | 4.89 (9) | O5_7—Zn7_7—O4_7 | 70.78 (19) |
Zn3_3—O6_3—H1W_3 | 122 (5) | O2_7—Zn7_7—O4_7 | 144.6 (2) |
Zn9_9—O6_3—H1W_3 | 117 (5) | O3_7—Zn7_7—O4_7 | 73.4 (2) |
Zn3_3—O6_3—H2W_3 | 123 (5) | O6_7—Zn7_7—O1_7 | 85.1 (2) |
Zn9_9—O6_3—H2W_3 | 127 (5) | O7_7—Zn7_7—O1_7 | 92.6 (2) |
H1W_3—O6_3—H2W_3 | 109 (3) | O5_7—Zn7_7—O1_7 | 71.08 (18) |
Zn9_9—O7_3—Zn3_3 | 5.23 (9) | O2_7—Zn7_7—O1_7 | 73.31 (19) |
Zn9_9—O7_3—H3W_3 | 135 (5) | O3_7—Zn7_7—O1_7 | 144.0 (2) |
Zn3_3—O7_3—H3W_3 | 130 (5) | O4_7—Zn7_7—O1_7 | 141.79 (19) |
Zn9_9—O7_3—H4W_3 | 117 (5) | C1_7—O1_7—C10_7 | 113.4 (6) |
Zn3_3—O7_3—H4W_3 | 123 (5) | C1_7—O1_7—Zn7_7 | 109.7 (4) |
H3W_3—O7_3—H4W_3 | 106 (2) | C10_7—O1_7—Zn7_7 | 111.1 (4) |
O6_3—Zn3_3—O7_3 | 176.9 (3) | C3_7—O2_7—C2_7 | 114.5 (6) |
O6_3—Zn3_3—O5_3 | 89.3 (2) | C3_7—O2_7—Zn7_7 | 115.7 (5) |
O7_3—Zn3_3—O5_3 | 87.6 (2) | C2_7—O2_7—Zn7_7 | 115.0 (5) |
O6_3—Zn3_3—O2_3 | 99.6 (2) | C5_7—O3_7—C4_7 | 114.4 (6) |
O7_3—Zn3_3—O2_3 | 82.9 (2) | C5_7—O3_7—Zn7_7 | 114.3 (4) |
O5_3—Zn3_3—O2_3 | 143.0 (2) | C4_7—O3_7—Zn7_7 | 113.3 (5) |
O6_3—Zn3_3—O3_3 | 86.1 (2) | C7_7—O4_7—C6_7 | 115.3 (7) |
O7_3—Zn3_3—O3_3 | 96.4 (2) | C7_7—O4_7—Zn7_7 | 110.5 (5) |
O5_3—Zn3_3—O3_3 | 143.9 (2) | C6_7—O4_7—Zn7_7 | 111.0 (5) |
O2_3—Zn3_3—O3_3 | 72.88 (19) | C8_7—O5_7—C9_7 | 118.5 (6) |
O6_3—Zn3_3—O1_3 | 88.0 (2) | C8_7—O5_7—Zn7_7 | 121.2 (4) |
O7_3—Zn3_3—O1_3 | 90.9 (2) | C9_7—O5_7—Zn7_7 | 119.6 (4) |
O5_3—Zn3_3—O1_3 | 71.11 (18) | O1_7—C1_7—C2_7 | 107.8 (7) |
O2_3—Zn3_3—O1_3 | 73.38 (18) | O1_7—C1_7—H11_7 | 110.1 |
O3_3—Zn3_3—O1_3 | 144.23 (19) | C2_7—C1_7—H11_7 | 110.2 |
O6_3—Zn3_3—O4_3 | 91.4 (3) | O1_7—C1_7—H12_7 | 110.2 |
O7_3—Zn3_3—O4_3 | 87.6 (2) | C2_7—C1_7—H12_7 | 110.1 |
O5_3—Zn3_3—O4_3 | 70.78 (19) | H11_7—C1_7—H12_7 | 108.5 |
O2_3—Zn3_3—O4_3 | 143.8 (2) | H6A_10—C1_7—H6B_10 | 87.0 |
O3_3—Zn3_3—O4_3 | 73.59 (19) | O2_7—C2_7—C1_7 | 105.3 (6) |
O1_3—Zn3_3—O4_3 | 141.89 (19) | O2_7—C2_7—H21_7 | 110.7 |
C10_3—O1_3—C1_3 | 113.2 (6) | C1_7—C2_7—H21_7 | 110.7 |
C10_3—O1_3—Zn3_3 | 112.0 (4) | O2_7—C2_7—H22_7 | 110.7 |
C1_3—O1_3—Zn3_3 | 110.8 (4) | C1_7—C2_7—H22_7 | 110.7 |
C2_3—O2_3—C3_3 | 113.4 (6) | H21_7—C2_7—H22_7 | 108.8 |
C2_3—O2_3—Zn3_3 | 114.1 (5) | O2_7—C3_7—C4_7 | 105.0 (6) |
C3_3—O2_3—Zn3_3 | 115.7 (5) | O2_7—C3_7—H31_7 | 110.8 |
C5_3—O3_3—C4_3 | 114.7 (6) | C4_7—C3_7—H31_7 | 110.8 |
C5_3—O3_3—Zn3_3 | 112.7 (4) | O2_7—C3_7—H32_7 | 110.8 |
C4_3—O3_3—Zn3_3 | 113.5 (4) | C4_7—C3_7—H32_7 | 110.8 |
C7_3—O4_3—C6_3 | 115.9 (7) | H31_7—C3_7—H32_7 | 108.8 |
C7_3—O4_3—Zn3_3 | 111.2 (5) | H8A_10—C3_7—H8B_10 | 107.3 |
C6_3—O4_3—Zn3_3 | 111.3 (5) | O3_7—C4_7—C3_7 | 107.4 (6) |
C9_3—O5_3—C8_3 | 118.4 (5) | O3_7—C4_7—H41_7 | 110.2 |
C9_3—O5_3—Zn3_3 | 120.2 (4) | C3_7—C4_7—H41_7 | 110.2 |
C8_3—O5_3—Zn3_3 | 120.3 (4) | O3_7—C4_7—H42_7 | 110.2 |
O1_3—C1_3—C2_3 | 107.1 (7) | C3_7—C4_7—H42_7 | 110.2 |
O1_3—C1_3—H11_3 | 110.3 | H41_7—C4_7—H42_7 | 108.5 |
C2_3—C1_3—H11_3 | 110.3 | H9A_10—C4_7—H9B_10 | 102.0 |
O1_3—C1_3—H12_3 | 110.3 | O3_7—C5_7—C6_7 | 106.8 (7) |
C2_3—C1_3—H12_3 | 110.3 | O3_7—C5_7—H51_7 | 110.4 |
H11_3—C1_3—H12_3 | 108.5 | C6_7—C5_7—H51_7 | 110.4 |
H6A_9—C1_3—H6B_9 | 84.7 | O3_7—C5_7—H52_7 | 110.4 |
O2_3—C2_3—C1_3 | 105.9 (6) | C6_7—C5_7—H52_7 | 110.4 |
O2_3—C2_3—H21_3 | 110.6 | H51_7—C5_7—H52_7 | 108.6 |
C1_3—C2_3—H21_3 | 110.6 | O4_7—C6_7—C5_7 | 106.4 (7) |
O2_3—C2_3—H22_3 | 110.6 | O4_7—C6_7—H61_7 | 110.4 |
C1_3—C2_3—H22_3 | 110.6 | C5_7—C6_7—H61_7 | 110.4 |
H21_3—C2_3—H22_3 | 108.7 | O4_7—C6_7—H62_7 | 110.4 |
O2_3—C3_3—C4_3 | 105.4 (6) | C5_7—C6_7—H62_7 | 110.4 |
O2_3—C3_3—H31_3 | 110.7 | H61_7—C6_7—H62_7 | 108.6 |
C4_3—C3_3—H31_3 | 110.7 | H1A_10—C6_7—H1B_10 | 85.5 |
O2_3—C3_3—H32_3 | 110.7 | O4_7—C7_7—C8_7 | 108.1 (7) |
C4_3—C3_3—H32_3 | 110.7 | O4_7—C7_7—H71_7 | 110.1 |
H31_3—C3_3—H32_3 | 108.8 | C8_7—C7_7—H71_7 | 110.1 |
H8A_9—C3_3—H8B_9 | 101.2 | O4_7—C7_7—H72_7 | 110.1 |
O3_3—C4_3—C3_3 | 108.2 (6) | C8_7—C7_7—H72_7 | 110.1 |
O3_3—C4_3—H41_3 | 110.1 | H71_7—C7_7—H72_7 | 108.4 |
C3_3—C4_3—H41_3 | 110.1 | O5_7—C8_7—C7_7 | 107.8 (7) |
O3_3—C4_3—H42_3 | 110.1 | O5_7—C8_7—H81_7 | 110.1 |
C3_3—C4_3—H42_3 | 110.1 | C7_7—C8_7—H81_7 | 110.1 |
H41_3—C4_3—H42_3 | 108.4 | O5_7—C8_7—H82_7 | 110.1 |
H9A_9—C4_3—H9B_9 | 107.5 | C7_7—C8_7—H82_7 | 110.1 |
O3_3—C5_3—C6_3 | 106.7 (7) | H81_7—C8_7—H82_7 | 108.5 |
O3_3—C5_3—H51_3 | 110.4 | H3A_10—C8_7—H3B_10 | 82.7 |
C6_3—C5_3—H51_3 | 110.4 | O5_7—C9_7—C10_7 | 107.6 (6) |
O3_3—C5_3—H52_3 | 110.4 | O5_7—C9_7—H91_7 | 110.2 |
C6_3—C5_3—H52_3 | 110.4 | C10_7—C9_7—H91_7 | 110.2 |
H51_3—C5_3—H52_3 | 108.6 | O5_7—C9_7—H92_7 | 110.2 |
O4_3—C6_3—C5_3 | 108.8 (7) | C10_7—C9_7—H92_7 | 110.2 |
O4_3—C6_3—H61_3 | 109.9 | H91_7—C9_7—H92_7 | 108.5 |
C5_3—C6_3—H61_3 | 109.9 | H4A_10—C9_7—H4B_10 | 87.1 |
O4_3—C6_3—H62_3 | 109.9 | O1_7—C10_7—C9_7 | 104.8 (6) |
C5_3—C6_3—H62_3 | 109.9 | O1_7—C10_7—H101_7 | 110.8 |
H61_3—C6_3—H62_3 | 108.3 | C9_7—C10_7—H101_7 | 110.8 |
H1A_9—C6_3—H1B_9 | 90.4 | O1_7—C10_7—H102_7 | 110.8 |
O4_3—C7_3—C8_3 | 107.9 (7) | C9_7—C10_7—H102_7 | 110.8 |
O4_3—C7_3—H71_3 | 110.1 | H101_7—C10_7—H102_7 | 108.9 |
C8_3—C7_3—H71_3 | 110.1 | O7_7—Zn10_10—O6_7 | 171.1 (3) |
O4_3—C7_3—H72_3 | 110.1 | O7_7—Zn10_10—O5_10 | 85.5 (3) |
C8_3—C7_3—H72_3 | 110.1 | O6_7—Zn10_10—O5_10 | 86.0 (2) |
H71_3—C7_3—H72_3 | 108.4 | O7_7—Zn10_10—O2_10 | 99.9 (3) |
O5_3—C8_3—C7_3 | 109.1 (6) | O6_7—Zn10_10—O2_10 | 88.4 (3) |
O5_3—C8_3—H81_3 | 109.9 | O5_10—Zn10_10—O2_10 | 143.4 |
C7_3—C8_3—H81_3 | 109.9 | O7_7—Zn10_10—O3_10 | 88.0 (3) |
O5_3—C8_3—H82_3 | 109.9 | O6_7—Zn10_10—O3_10 | 97.3 (2) |
C7_3—C8_3—H82_3 | 109.9 | O5_10—Zn10_10—O3_10 | 143.6 |
H81_3—C8_3—H82_3 | 108.3 | O2_10—Zn10_10—O3_10 | 73.0 |
H3A_9—C8_3—H3B_9 | 76.3 | O7_7—Zn10_10—O4_10 | 88.7 (3) |
O5_3—C9_3—C10_3 | 106.4 (6) | O6_7—Zn10_10—O4_10 | 86.2 (3) |
O5_3—C9_3—H91_3 | 110.4 | O5_10—Zn10_10—O4_10 | 71.6 |
C10_3—C9_3—H91_3 | 110.4 | O2_10—Zn10_10—O4_10 | 144.1 |
O5_3—C9_3—H92_3 | 110.4 | O3_10—Zn10_10—O4_10 | 72.5 |
C10_3—C9_3—H92_3 | 110.4 | O7_7—Zn10_10—O1_10 | 89.6 (3) |
H91_3—C9_3—H92_3 | 108.6 | O6_7—Zn10_10—O1_10 | 90.3 (3) |
H4A_9—C9_3—H4B_9 | 84.9 | O5_10—Zn10_10—O1_10 | 71.4 |
O1_3—C10_3—C9_3 | 105.8 (6) | O2_10—Zn10_10—O1_10 | 72.5 |
O1_3—C10_3—H101_3 | 110.6 | O3_10—Zn10_10—O1_10 | 144.4 |
C9_3—C10_3—H101_3 | 110.6 | O4_10—Zn10_10—O1_10 | 142.9 |
O1_3—C10_3—H102_3 | 110.6 | C10_10—O1_10—C1_10 | 114.7 |
C9_3—C10_3—H102_3 | 110.6 | C10_10—O1_10—Zn10_10 | 112.0 |
H101_3—C10_3—H102_3 | 108.7 | C1_10—O1_10—Zn10_10 | 113.1 |
O7_3—Zn9_9—O5_9 | 85.4 (3) | C3_10—O2_10—C2_10 | 113.0 |
O7_3—Zn9_9—O6_3 | 173.0 (3) | C3_10—O2_10—Zn10_10 | 116.6 |
O5_9—Zn9_9—O6_3 | 87.7 (2) | C2_10—O2_10—Zn10_10 | 118.2 |
O7_3—Zn9_9—O2_9 | 97.9 (3) | C4_10—O3_10—C5_10 | 114.4 |
O5_9—Zn9_9—O2_9 | 143.8 | C4_10—O3_10—Zn10_10 | 115.1 |
O6_3—Zn9_9—O2_9 | 86.8 (3) | C5_10—O3_10—Zn10_10 | 114.2 |
O7_3—Zn9_9—O3_9 | 89.8 (3) | C7_10—O4_10—C6_10 | 113.4 |
O5_9—Zn9_9—O3_9 | 143.4 | C7_10—O4_10—Zn10_10 | 112.9 |
O6_3—Zn9_9—O3_9 | 96.7 (2) | C6_10—O4_10—Zn10_10 | 114.1 |
O2_9—Zn9_9—O3_9 | 72.8 | C9_10—O5_10—C8_10 | 115.9 |
O7_3—Zn9_9—O1_9 | 86.6 (3) | C9_10—O5_10—Zn10_10 | 121.8 |
O5_9—Zn9_9—O1_9 | 72.5 | C8_10—O5_10—Zn10_10 | 122.1 |
O6_3—Zn9_9—O1_9 | 89.8 (3) | O1_10—C1_10—C2_10 | 106.0 |
O2_9—Zn9_9—O1_9 | 71.8 | O1_10—C1_10—H1A_10 | 110.9 |
O3_9—Zn9_9—O1_9 | 143.5 | C2_10—C1_10—H1A_10 | 110.3 |
O7_3—Zn9_9—O4_9 | 90.8 (3) | O1_10—C1_10—H1B_10 | 109.9 |
O5_9—Zn9_9—O4_9 | 71.8 | C2_10—C1_10—H1B_10 | 110.5 |
O6_3—Zn9_9—O4_9 | 88.5 (3) | H1A_10—C1_10—H1B_10 | 109.2 |
O2_9—Zn9_9—O4_9 | 143.7 | O2_10—C2_10—C1_10 | 105.4 |
O3_9—Zn9_9—O4_9 | 72.0 | O2_10—C2_10—H2A_10 | 110.8 |
O1_9—Zn9_9—O4_9 | 144.3 | C1_10—C2_10—H2A_10 | 110.6 |
C1_9—O1_9—C10_9 | 112.8 | O2_10—C2_10—H2B_10 | 111.3 |
C1_9—O1_9—Zn9_9 | 114.4 | C1_10—C2_10—H2B_10 | 110.5 |
C10_9—O1_9—Zn9_9 | 112.1 | H2A_10—C2_10—H2B_10 | 108.2 |
C3_9—O2_9—C2_9 | 116.1 | O2_10—C3_10—C4_10 | 105.7 |
C3_9—O2_9—Zn9_9 | 115.9 | O2_10—C3_10—H3A_10 | 110.4 |
C2_9—O2_9—Zn9_9 | 116.8 | C4_10—C3_10—H3A_10 | 111.1 |
C5_9—O3_9—C4_9 | 114.3 | O2_10—C3_10—H3B_10 | 110.5 |
C5_9—O3_9—Zn9_9 | 115.4 | C4_10—C3_10—H3B_10 | 110.8 |
C4_9—O3_9—Zn9_9 | 114.7 | H3A_10—C3_10—H3B_10 | 108.3 |
C6_9—O4_9—C7_9 | 116.3 | O3_10—C4_10—C3_10 | 105.9 |
C6_9—O4_9—Zn9_9 | 115.2 | O3_10—C4_10—H4A_10 | 110.2 |
C7_9—O4_9—Zn9_9 | 111.3 | C3_10—C4_10—H4A_10 | 111.1 |
C9_9—O5_9—C8_9 | 118.0 | O3_10—C4_10—H4B_10 | 110.5 |
C9_9—O5_9—Zn9_9 | 120.4 | C3_10—C4_10—H4B_10 | 110.6 |
C8_9—O5_9—Zn9_9 | 121.5 | H4A_10—C4_10—H4B_10 | 108.5 |
O1_9—C1_9—C2_9 | 107.0 | O3_10—C5_10—C6_10 | 105.0 |
O1_9—C1_9—H1A_9 | 109.7 | O3_10—C5_10—H5A_10 | 110.9 |
C2_9—C1_9—H1A_9 | 110.3 | C6_10—C5_10—H5A_10 | 110.7 |
O1_9—C1_9—H1B_9 | 110.8 | O3_10—C5_10—H5B_10 | 111.3 |
C2_9—C1_9—H1B_9 | 110.0 | C6_10—C5_10—H5B_10 | 110.5 |
H1A_9—C1_9—H1B_9 | 109.0 | H5A_10—C5_10—H5B_10 | 108.5 |
C1_9—C2_9—O2_9 | 105.8 | O4_10—C6_10—C5_10 | 106.6 |
C1_9—C2_9—H2A_9 | 110.5 | O4_10—C6_10—H6A_10 | 110.7 |
O2_9—C2_9—H2A_9 | 111.1 | C5_10—C6_10—H6A_10 | 110.3 |
C1_9—C2_9—H2B_9 | 110.5 | O4_10—C6_10—H6B_10 | 110.0 |
O2_9—C2_9—H2B_9 | 110.8 | C5_10—C6_10—H6B_10 | 110.1 |
H2A_9—C2_9—H2B_9 | 108.1 | H6A_10—C6_10—H6B_10 | 109.1 |
O2_9—C3_9—C4_9 | 105.6 | O4_10—C7_10—C8_10 | 106.5 |
O2_9—C3_9—H3A_9 | 110.5 | O4_10—C7_10—H7A_10 | 110.3 |
C4_9—C3_9—H3A_9 | 110.9 | C8_10—C7_10—H7A_10 | 109.9 |
O2_9—C3_9—H3B_9 | 110.5 | O4_10—C7_10—H7B_10 | 110.1 |
C4_9—C3_9—H3B_9 | 111.0 | C8_10—C7_10—H7B_10 | 110.8 |
H3A_9—C3_9—H3B_9 | 108.3 | H7A_10—C7_10—H7B_10 | 109.3 |
O3_9—C4_9—C3_9 | 106.5 | O5_10—C8_10—C7_10 | 107.4 |
O3_9—C4_9—H4A_9 | 110.4 | O5_10—C8_10—H8A_10 | 111.0 |
C3_9—C4_9—H4A_9 | 110.6 | C7_10—C8_10—H8A_10 | 109.6 |
O3_9—C4_9—H4B_9 | 110.1 | O5_10—C8_10—H8B_10 | 109.6 |
C3_9—C4_9—H4B_9 | 110.9 | C7_10—C8_10—H8B_10 | 110.6 |
H4A_9—C4_9—H4B_9 | 108.5 | H8A_10—C8_10—H8B_10 | 108.7 |
O3_9—C5_9—C6_9 | 106.2 | O5_10—C9_10—C10_10 | 106.4 |
O3_9—C5_9—H5A_9 | 111.0 | O5_10—C9_10—H9A_10 | 111.1 |
C6_9—C5_9—H5A_9 | 110.2 | C10_10—C9_10—H9A_10 | 109.8 |
O3_9—C5_9—H5B_9 | 110.7 | O5_10—C9_10—H9B_10 | 109.9 |
C6_9—C5_9—H5B_9 | 110.4 | C10_10—C9_10—H9B_10 | 110.7 |
H5A_9—C5_9—H5B_9 | 108.3 | H9A_10—C9_10—H9B_10 | 109.0 |
O4_9—C6_9—C5_9 | 106.3 | O1_10—C10_10—C9_10 | 107.1 |
O4_9—C6_9—H6A_9 | 110.1 | O1_10—C10_10—H10A_10 | 110.4 |
C5_9—C6_9—H6A_9 | 110.2 | C9_10—C10_10—H10A_10 | 109.6 |
O4_9—C6_9—H6B_9 | 110.8 | O1_10—C10_10—H10B_10 | 109.8 |
C5_9—C6_9—H6B_9 | 110.4 | C9_10—C10_10—H10B_10 | 110.7 |
H6A_9—C6_9—H6B_9 | 109.0 | H10A_10—C10_10—H10B_10 | 109.1 |
O4_9—C7_9—C8_9 | 108.6 | Zn8_8—O6_8—H1W_8 | 122 (4) |
O4_9—C7_9—H7A_9 | 109.7 | Zn8_8—O6_8—H2W_8 | 132 (4) |
C8_9—C7_9—H7A_9 | 110.4 | H1W_8—O6_8—H2W_8 | 106 (2) |
O4_9—C7_9—H7B_9 | 109.8 | Zn8_8—O7_8—H3W_8 | 123 (5) |
C8_9—C7_9—H7B_9 | 109.5 | Zn8_8—O7_8—H4W_8 | 123 (5) |
H7A_9—C7_9—H7B_9 | 108.9 | H3W_8—O7_8—H4W_8 | 104 (2) |
O5_9—C8_9—C7_9 | 107.6 | O6_8—Zn8_8—O7_8 | 178.3 (2) |
O5_9—C8_9—H8A_9 | 109.6 | O6_8—Zn8_8—O5_8 | 88.9 (2) |
C7_9—C8_9—H8A_9 | 110.5 | O7_8—Zn8_8—O5_8 | 89.5 (2) |
O5_9—C8_9—H8B_9 | 110.9 | O6_8—Zn8_8—O2_8 | 97.0 (2) |
C7_9—C8_9—H8B_9 | 109.6 | O7_8—Zn8_8—O2_8 | 84.2 (2) |
H8A_9—C8_9—H8B_9 | 108.6 | O5_8—Zn8_8—O2_8 | 143.68 (16) |
O5_9—C9_9—C10_9 | 107.6 | O6_8—Zn8_8—O3_8 | 85.0 (2) |
O5_9—C9_9—H9A_9 | 109.6 | O7_8—Zn8_8—O3_8 | 96.5 (2) |
C10_9—C9_9—H9A_9 | 110.5 | O5_8—Zn8_8—O3_8 | 143.66 (18) |
O5_9—C9_9—H9B_9 | 110.8 | O2_8—Zn8_8—O3_8 | 72.66 (16) |
C10_9—C9_9—H9B_9 | 109.5 | O6_8—Zn8_8—O4_8 | 91.2 (3) |
H9A_9—C9_9—H9B_9 | 108.8 | O7_8—Zn8_8—O4_8 | 88.5 (2) |
O1_9—C10_9—C9_9 | 104.8 | O5_8—Zn8_8—O4_8 | 70.43 (15) |
O1_9—C10_9—H10A_9 | 110.4 | O2_8—Zn8_8—O4_8 | 144.67 (15) |
C9_9—C10_9—H10A_9 | 111.3 | O3_8—Zn8_8—O4_8 | 73.93 (16) |
O1_9—C10_9—H10B_9 | 110.9 | O6_8—Zn8_8—O1_8 | 87.6 (2) |
C9_9—C10_9—H10B_9 | 110.1 | O7_8—Zn8_8—O1_8 | 91.7 (2) |
H10A_9—C10_9—H10B_9 | 109.4 | O5_8—Zn8_8—O1_8 | 72.09 (15) |
Zn4_4—O6_4—H1W_4 | 117 (5) | O2_8—Zn8_8—O1_8 | 72.39 (15) |
Zn4_4—O6_4—H2W_4 | 117 (5) | O3_8—Zn8_8—O1_8 | 143.01 (16) |
H1W_4—O6_4—H2W_4 | 105 (2) | O4_8—Zn8_8—O1_8 | 142.52 (16) |
Zn4_4—O7_4—H3W_4 | 129 (5) | C1_8—O1_8—C10_8 | 114.5 (5) |
Zn4_4—O7_4—H4W_4 | 122 (5) | C1_8—O1_8—Zn8_8 | 111.8 (4) |
H3W_4—O7_4—H4W_4 | 109 (3) | C10_8—O1_8—Zn8_8 | 110.0 (3) |
O7_4—Zn4_4—O6_4 | 177.1 (3) | C2_8—O2_8—C3_8 | 114.8 (5) |
O7_4—Zn4_4—O5_4 | 88.5 (2) | C2_8—O2_8—Zn8_8 | 115.8 (4) |
O6_4—Zn4_4—O5_4 | 89.4 (2) | C3_8—O2_8—Zn8_8 | 114.9 (4) |
O7_4—Zn4_4—O2_4 | 84.6 (2) | C4_8—O3_8—C5_8 | 114.4 (5) |
O6_4—Zn4_4—O2_4 | 98.2 (2) | C4_8—O3_8—Zn8_8 | 114.3 (4) |
O5_4—Zn4_4—O2_4 | 143.48 (17) | C5_8—O3_8—Zn8_8 | 111.5 (3) |
O7_4—Zn4_4—O3_4 | 95.7 (2) | C7_8—O4_8—C6_8 | 115.1 (6) |
O6_4—Zn4_4—O3_4 | 84.9 (2) | C7_8—O4_8—Zn8_8 | 111.5 (4) |
O5_4—Zn4_4—O3_4 | 143.60 (18) | C6_8—O4_8—Zn8_8 | 110.7 (4) |
O2_4—Zn4_4—O3_4 | 72.88 (16) | C8_8—O5_8—C9_8 | 116.1 (5) |
O7_4—Zn4_4—O1_4 | 92.0 (2) | C8_8—O5_8—Zn8_8 | 123.1 (3) |
O6_4—Zn4_4—O1_4 | 89.1 (2) | C9_8—O5_8—Zn8_8 | 120.4 (4) |
O5_4—Zn4_4—O1_4 | 71.80 (15) | O1_8—C1_8—C2_8 | 106.9 (6) |
O2_4—Zn4_4—O1_4 | 72.66 (15) | O1_8—C1_8—H11_8 | 110.3 |
O3_4—Zn4_4—O1_4 | 143.74 (16) | C2_8—C1_8—H11_8 | 110.3 |
O7_4—Zn4_4—O4_4 | 87.1 (2) | O1_8—C1_8—H12_8 | 110.3 |
O6_4—Zn4_4—O4_4 | 90.4 (2) | C2_8—C1_8—H12_8 | 110.3 |
O5_4—Zn4_4—O4_4 | 71.51 (16) | H11_8—C1_8—H12_8 | 108.6 |
O2_4—Zn4_4—O4_4 | 143.44 (16) | O2_8—C2_8—C1_8 | 106.3 (5) |
O3_4—Zn4_4—O4_4 | 72.61 (16) | O2_8—C2_8—H21_8 | 110.5 |
O1_4—Zn4_4—O4_4 | 143.31 (16) | C1_8—C2_8—H21_8 | 110.5 |
C10_4—O1_4—C1_4 | 113.5 (5) | O2_8—C2_8—H22_8 | 110.5 |
C10_4—O1_4—Zn4_4 | 112.5 (3) | C1_8—C2_8—H22_8 | 110.5 |
C1_4—O1_4—Zn4_4 | 113.1 (4) | H21_8—C2_8—H22_8 | 108.7 |
C2_4—O2_4—C3_4 | 114.6 (5) | O2_8—C3_8—C4_8 | 106.0 (5) |
C2_4—O2_4—Zn4_4 | 115.1 (4) | O2_8—C3_8—H31_8 | 110.5 |
C3_4—O2_4—Zn4_4 | 113.6 (4) | C4_8—C3_8—H31_8 | 110.5 |
C4_4—O3_4—C5_4 | 114.7 (5) | O2_8—C3_8—H32_8 | 110.5 |
C4_4—O3_4—Zn4_4 | 113.7 (4) | C4_8—C3_8—H32_8 | 110.5 |
C5_4—O3_4—Zn4_4 | 114.1 (3) | H31_8—C3_8—H32_8 | 108.7 |
C7_4—O4_4—C6_4 | 115.7 (6) | O3_8—C4_8—C3_8 | 106.0 (5) |
C7_4—O4_4—Zn4_4 | 111.7 (4) | O3_8—C4_8—H41_8 | 110.5 |
C6_4—O4_4—Zn4_4 | 112.6 (4) | C3_8—C4_8—H41_8 | 110.5 |
C9_4—O5_4—C8_4 | 117.5 (5) | O3_8—C4_8—H42_8 | 110.5 |
C9_4—O5_4—Zn4_4 | 120.3 (4) | C3_8—C4_8—H42_8 | 110.5 |
C8_4—O5_4—Zn4_4 | 121.7 (4) | H41_8—C4_8—H42_8 | 108.7 |
O1_4—C1_4—C2_4 | 106.3 (6) | O3_8—C5_8—C6_8 | 106.4 (6) |
O1_4—C1_4—H11_4 | 110.5 | O3_8—C5_8—H51_8 | 110.4 |
C2_4—C1_4—H11_4 | 110.5 | C6_8—C5_8—H51_8 | 110.4 |
O1_4—C1_4—H12_4 | 110.5 | O3_8—C5_8—H52_8 | 110.4 |
C2_4—C1_4—H12_4 | 110.5 | C6_8—C5_8—H52_8 | 110.4 |
H11_4—C1_4—H12_4 | 108.7 | H51_8—C5_8—H52_8 | 108.6 |
O2_4—C2_4—C1_4 | 106.4 (5) | O4_8—C6_8—C5_8 | 106.7 (6) |
O2_4—C2_4—H21_4 | 110.5 | O4_8—C6_8—H61_8 | 110.4 |
C1_4—C2_4—H21_4 | 110.5 | C5_8—C6_8—H61_8 | 110.4 |
O2_4—C2_4—H22_4 | 110.5 | O4_8—C6_8—H62_8 | 110.4 |
C1_4—C2_4—H22_4 | 110.5 | C5_8—C6_8—H62_8 | 110.4 |
H21_4—C2_4—H22_4 | 108.6 | H61_8—C6_8—H62_8 | 108.6 |
O2_4—C3_4—C4_4 | 105.8 (5) | O4_8—C7_8—C8_8 | 107.9 (6) |
O2_4—C3_4—H31_4 | 110.6 | O4_8—C7_8—H71_8 | 110.1 |
C4_4—C3_4—H31_4 | 110.6 | C8_8—C7_8—H71_8 | 110.1 |
O2_4—C3_4—H32_4 | 110.6 | O4_8—C7_8—H72_8 | 110.1 |
C4_4—C3_4—H32_4 | 110.6 | C8_8—C7_8—H72_8 | 110.1 |
H31_4—C3_4—H32_4 | 108.7 | H71_8—C7_8—H72_8 | 108.4 |
O3_4—C4_4—C3_4 | 105.9 (5) | O5_8—C8_8—C7_8 | 106.1 (5) |
O3_4—C4_4—H41_4 | 110.6 | O5_8—C8_8—H81_8 | 110.5 |
C3_4—C4_4—H41_4 | 110.6 | C7_8—C8_8—H81_8 | 110.5 |
O3_4—C4_4—H42_4 | 110.6 | O5_8—C8_8—H82_8 | 110.5 |
C3_4—C4_4—H42_4 | 110.6 | C7_8—C8_8—H82_8 | 110.5 |
H41_4—C4_4—H42_4 | 108.7 | H81_8—C8_8—H82_8 | 108.7 |
O3_4—C5_4—C6_4 | 106.3 (6) | O5_8—C9_8—C10_8 | 106.7 (5) |
O3_4—C5_4—H51_4 | 110.5 | O5_8—C9_8—H91_8 | 110.4 |
C6_4—C5_4—H51_4 | 110.5 | C10_8—C9_8—H91_8 | 110.4 |
O3_4—C5_4—H52_4 | 110.5 | O5_8—C9_8—H92_8 | 110.4 |
C6_4—C5_4—H52_4 | 110.5 | C10_8—C9_8—H92_8 | 110.4 |
H51_4—C5_4—H52_4 | 108.7 | H91_8—C9_8—H92_8 | 108.6 |
O4_4—C6_4—C5_4 | 108.7 (6) | O1_8—C10_8—C9_8 | 107.5 (5) |
O4_4—C6_4—H61_4 | 110.0 | O1_8—C10_8—H101_8 | 110.2 |
C5_4—C6_4—H61_4 | 110.0 | C9_8—C10_8—H101_8 | 110.2 |
O4_4—C6_4—H62_4 | 110.0 | O1_8—C10_8—H102_8 | 110.2 |
C5_4—C6_4—H62_4 | 110.0 | C9_8—C10_8—H102_8 | 110.2 |
H61_4—C6_4—H62_4 | 108.3 | H101_8—C10_8—H102_8 | 108.5 |
O4_4—C7_4—C8_4 | 109.0 (6) | O8_11—N1_11—O10_11 | 124.1 (7) |
O4_4—C7_4—H71_4 | 109.9 | O8_11—N1_11—O9_11 | 114.5 (7) |
C8_4—C7_4—H71_4 | 109.9 | O10_11—N1_11—O9_11 | 121.1 (6) |
O4_4—C7_4—H72_4 | 109.9 | O10_12—N2_12—O8_12 | 122.8 (7) |
C8_4—C7_4—H72_4 | 109.9 | O10_12—N2_12—O9_12 | 120.5 (6) |
H71_4—C7_4—H72_4 | 108.3 | O8_12—N2_12—O9_12 | 116.6 (6) |
O5_4—C8_4—C7_4 | 107.9 (5) | O9_13—N3_13—O10_13 | 121.2 (6) |
O5_4—C8_4—H81_4 | 110.1 | O9_13—N3_13—O8_13 | 114.4 (6) |
C7_4—C8_4—H81_4 | 110.1 | O10_13—N3_13—O8_13 | 123.8 (7) |
O5_4—C8_4—H82_4 | 110.1 | O8_14—N4_14—O10_14 | 127.8 (7) |
C7_4—C8_4—H82_4 | 110.1 | O8_14—N4_14—O9_14 | 114.0 (7) |
H81_4—C8_4—H82_4 | 108.4 | O10_14—N4_14—O9_14 | 117.9 (6) |
O5_4—C9_4—C10_4 | 106.8 (5) | O10_15—N5_15—O9_15 | 122.5 (6) |
O5_4—C9_4—H91_4 | 110.4 | O10_15—N5_15—O8_15 | 120.3 (7) |
C10_4—C9_4—H91_4 | 110.4 | O9_15—N5_15—O8_15 | 117.0 (6) |
O5_4—C9_4—H92_4 | 110.4 | O8_16—N6_16—O10_16 | 124.4 (7) |
C10_4—C9_4—H92_4 | 110.4 | O8_16—N6_16—O9_16 | 113.6 (6) |
H91_4—C9_4—H92_4 | 108.6 | O10_16—N6_16—O9_16 | 121.7 (6) |
O1_4—C10_4—C9_4 | 106.0 (5) | O10_17—N7_17—O8_17 | 126.5 (7) |
O1_4—C10_4—H101_4 | 110.5 | O10_17—N7_17—O9_17 | 119.4 (6) |
C9_4—C10_4—H101_4 | 110.5 | O8_17—N7_17—O9_17 | 114.0 (6) |
O1_4—C10_4—H102_4 | 110.5 | O10_18—N8_18—O9_18 | 121.7 (6) |
C9_4—C10_4—H102_4 | 110.5 | O10_18—N8_18—O8_18 | 123.0 (7) |
H101_4—C10_4—H102_4 | 108.7 | O9_18—N8_18—O8_18 | 114.6 (6) |
Zn5_5—O6_5—H1W_5 | 117 (4) | O10_19—N9_19—O8_19 | 125.0 (7) |
Zn5_5—O6_5—H2W_5 | 131 (4) | O10_19—N9_19—O9_19 | 116.1 (6) |
H1W_5—O6_5—H2W_5 | 107 (3) | O8_19—N9_19—O9_19 | 118.9 (6) |
Zn5_5—O7_5—H3W_5 | 121 (5) | O8_20—N10_20—O9_20 | 121.4 (7) |
Zn5_5—O7_5—H4W_5 | 104 (5) | O8_20—N10_20—O10_20 | 119.8 (7) |
H3W_5—O7_5—H4W_5 | 106 (2) | O9_20—N10_20—O10_20 | 118.7 (6) |
O6_5—Zn5_5—O7_5 | 178.2 (2) | O8_21—N11_21—O10_21 | 122.4 (7) |
O6_5—Zn5_5—O5_5 | 89.6 (2) | O8_21—N11_21—O9_21 | 121.7 (6) |
O7_5—Zn5_5—O5_5 | 89.3 (2) | O10_21—N11_21—O9_21 | 115.9 (6) |
O6_5—Zn5_5—O2_5 | 96.7 (2) | O8_22—N12_22—O9_22 | 120.4 (6) |
O7_5—Zn5_5—O2_5 | 83.4 (2) | O8_22—N12_22—O10_22 | 122.5 (7) |
O5_5—Zn5_5—O2_5 | 143.28 (16) | O9_22—N12_22—O10_22 | 117.0 (6) |
O6_5—Zn5_5—O3_5 | 85.5 (2) | O8_23—N13_23—O10_23 | 122.3 (7) |
O7_5—Zn5_5—O3_5 | 96.2 (2) | O8_23—N13_23—O9_23 | 121.9 (6) |
O5_5—Zn5_5—O3_5 | 143.56 (17) | O10_23—N13_23—O9_23 | 115.8 (6) |
O2_5—Zn5_5—O3_5 | 73.15 (16) | O8_24—N14_24—O10_24 | 122.6 (7) |
O6_5—Zn5_5—O4_5 | 92.6 (2) | O8_24—N14_24—O9_24 | 121.1 (6) |
O7_5—Zn5_5—O4_5 | 88.4 (2) | O10_24—N14_24—O9_24 | 116.3 (6) |
O5_5—Zn5_5—O4_5 | 70.22 (15) | O8_25—N15_25—O9_25 | 122.0 (7) |
O2_5—Zn5_5—O4_5 | 144.92 (15) | O8_25—N15_25—O10_25 | 118.5 (7) |
O3_5—Zn5_5—O4_5 | 73.94 (16) | O9_25—N15_25—O10_25 | 119.4 (6) |
O6_5—Zn5_5—O1_5 | 87.5 (2) | O8_26—N16_26—O10_26 | 121.2 (7) |
O7_5—Zn5_5—O1_5 | 90.8 (2) | O8_26—N16_26—O9_26 | 122.5 (7) |
O5_5—Zn5_5—O1_5 | 71.36 (14) | O10_26—N16_26—O9_26 | 116.2 (6) |
O7_1—Zn1_1—O1_1—C10_1 | 63.3 (4) | O6_5—Zn5_5—O1_5—C1_5 | −115.3 (4) |
O6_1—Zn1_1—O1_1—C10_1 | −114.5 (4) | O7_5—Zn5_5—O1_5—C1_5 | 65.4 (5) |
O5_1—Zn1_1—O1_1—C10_1 | −25.5 (4) | O5_5—Zn5_5—O1_5—C1_5 | 154.3 (5) |
O2_1—Zn1_1—O1_1—C10_1 | 146.8 (5) | O2_5—Zn5_5—O1_5—C1_5 | −17.5 (4) |
O3_1—Zn1_1—O1_1—C10_1 | 164.7 (4) | O3_5—Zn5_5—O1_5—C1_5 | −36.4 (6) |
O4_1—Zn1_1—O1_1—C10_1 | −23.9 (6) | O4_5—Zn5_5—O1_5—C1_5 | 153.7 (4) |
O7_1—Zn1_1—O1_1—C1_1 | −66.7 (4) | O6_5—Zn5_5—O1_5—C10_5 | 117.9 (4) |
O6_1—Zn1_1—O1_1—C1_1 | 115.6 (4) | O7_5—Zn5_5—O1_5—C10_5 | −61.5 (4) |
O5_1—Zn1_1—O1_1—C1_1 | −155.5 (5) | O5_5—Zn5_5—O1_5—C10_5 | 27.5 (4) |
O2_1—Zn1_1—O1_1—C1_1 | 16.8 (4) | O2_5—Zn5_5—O1_5—C10_5 | −144.4 (5) |
O3_1—Zn1_1—O1_1—C1_1 | 34.7 (6) | O3_5—Zn5_5—O1_5—C10_5 | −163.3 (4) |
O4_1—Zn1_1—O1_1—C1_1 | −153.9 (5) | O4_5—Zn5_5—O1_5—C10_5 | 26.9 (6) |
O7_1—Zn1_1—O2_1—C3_1 | −116.0 (5) | O6_5—Zn5_5—O2_5—C2_5 | 70.0 (5) |
O6_1—Zn1_1—O2_1—C3_1 | 64.4 (5) | O7_5—Zn5_5—O2_5—C2_5 | −108.2 (5) |
O5_1—Zn1_1—O2_1—C3_1 | 163.3 (4) | O5_5—Zn5_5—O2_5—C2_5 | −28.3 (6) |
O3_1—Zn1_1—O2_1—C3_1 | −18.3 (4) | O3_5—Zn5_5—O2_5—C2_5 | 153.2 (5) |
O1_1—Zn1_1—O2_1—C3_1 | 150.9 (5) | O4_5—Zn5_5—O2_5—C2_5 | 174.1 (5) |
O4_1—Zn1_1—O2_1—C3_1 | −38.6 (6) | O1_5—Zn5_5—O2_5—C2_5 | −15.3 (5) |
O7_1—Zn1_1—O2_1—C2_1 | 108.5 (5) | O6_5—Zn5_5—O2_5—C3_5 | −66.3 (4) |
O6_1—Zn1_1—O2_1—C2_1 | −71.2 (5) | O7_5—Zn5_5—O2_5—C3_5 | 115.5 (5) |
O5_1—Zn1_1—O2_1—C2_1 | 27.8 (7) | O5_5—Zn5_5—O2_5—C3_5 | −164.5 (4) |
O3_1—Zn1_1—O2_1—C2_1 | −153.9 (5) | O3_5—Zn5_5—O2_5—C3_5 | 17.0 (4) |
O1_1—Zn1_1—O2_1—C2_1 | 15.3 (5) | O4_5—Zn5_5—O2_5—C3_5 | 37.9 (6) |
O4_1—Zn1_1—O2_1—C2_1 | −174.2 (5) | O1_5—Zn5_5—O2_5—C3_5 | −151.6 (5) |
O7_1—Zn1_1—O3_1—C5_1 | −65.3 (5) | O6_5—Zn5_5—O3_5—C4_5 | 113.8 (5) |
O6_1—Zn1_1—O3_1—C5_1 | 112.7 (5) | O7_5—Zn5_5—O3_5—C4_5 | −65.8 (5) |
O5_1—Zn1_1—O3_1—C5_1 | 31.0 (7) | O5_5—Zn5_5—O3_5—C4_5 | −163.0 (4) |
O2_1—Zn1_1—O3_1—C5_1 | −147.4 (5) | O2_5—Zn5_5—O3_5—C4_5 | 15.4 (4) |
O1_1—Zn1_1—O3_1—C5_1 | −165.3 (5) | O4_5—Zn5_5—O3_5—C4_5 | −152.3 (5) |
O4_1—Zn1_1—O3_1—C5_1 | 20.1 (5) | O1_5—Zn5_5—O3_5—C4_5 | 34.3 (6) |
O7_1—Zn1_1—O3_1—C4_1 | 66.9 (5) | O6_5—Zn5_5—O3_5—C5_5 | −113.7 (5) |
O6_1—Zn1_1—O3_1—C4_1 | −115.1 (5) | O7_5—Zn5_5—O3_5—C5_5 | 66.8 (5) |
O5_1—Zn1_1—O3_1—C4_1 | 163.2 (4) | O5_5—Zn5_5—O3_5—C5_5 | −30.5 (7) |
O2_1—Zn1_1—O3_1—C4_1 | −15.2 (4) | O2_5—Zn5_5—O3_5—C5_5 | 148.0 (5) |
O1_1—Zn1_1—O3_1—C4_1 | −33.2 (6) | O4_5—Zn5_5—O3_5—C5_5 | −19.7 (5) |
O4_1—Zn1_1—O3_1—C4_1 | 152.3 (5) | O1_5—Zn5_5—O3_5—C5_5 | 166.9 (5) |
O7_1—Zn1_1—O4_1—C6_1 | 108.3 (5) | O6_5—Zn5_5—O4_5—C7_5 | −59.4 (5) |
O6_1—Zn1_1—O4_1—C6_1 | −73.3 (5) | O7_5—Zn5_5—O4_5—C7_5 | 119.0 (5) |
O5_1—Zn1_1—O4_1—C6_1 | −161.5 (6) | O5_5—Zn5_5—O4_5—C7_5 | 29.2 (5) |
O2_1—Zn1_1—O4_1—C6_1 | 32.0 (7) | O2_5—Zn5_5—O4_5—C7_5 | −164.9 (5) |
O3_1—Zn1_1—O4_1—C6_1 | 11.6 (5) | O3_5—Zn5_5—O4_5—C7_5 | −144.1 (5) |
O1_1—Zn1_1—O4_1—C6_1 | −163.1 (5) | O1_5—Zn5_5—O4_5—C7_5 | 29.8 (6) |
O7_1—Zn1_1—O4_1—C7_1 | −118.1 (5) | O6_5—Zn5_5—O4_5—C6_5 | 72.0 (5) |
O6_1—Zn1_1—O4_1—C7_1 | 60.4 (5) | O7_5—Zn5_5—O4_5—C6_5 | −109.6 (5) |
O5_1—Zn1_1—O4_1—C7_1 | −27.9 (5) | O5_5—Zn5_5—O4_5—C6_5 | 160.6 (5) |
O2_1—Zn1_1—O4_1—C7_1 | 165.6 (4) | O2_5—Zn5_5—O4_5—C6_5 | −33.4 (7) |
O3_1—Zn1_1—O4_1—C7_1 | 145.3 (5) | O3_5—Zn5_5—O4_5—C6_5 | −12.6 (5) |
O1_1—Zn1_1—O4_1—C7_1 | −29.5 (6) | O1_5—Zn5_5—O4_5—C6_5 | 161.2 (5) |
O7_1—Zn1_1—O5_1—C8_1 | 92.0 (6) | O6_5—Zn5_5—O5_5—C9_5 | −83.6 (5) |
O6_1—Zn1_1—O5_1—C8_1 | −87.0 (6) | O7_5—Zn5_5—O5_5—C9_5 | 95.1 (5) |
O2_1—Zn1_1—O5_1—C8_1 | 171.0 (5) | O2_5—Zn5_5—O5_5—C9_5 | 17.0 (7) |
O3_1—Zn1_1—O5_1—C8_1 | −6.4 (7) | O3_5—Zn5_5—O5_5—C9_5 | −165.4 (4) |
O1_1—Zn1_1—O5_1—C8_1 | −176.4 (6) | O4_5—Zn5_5—O5_5—C9_5 | −176.4 (5) |
O4_1—Zn1_1—O5_1—C8_1 | 4.7 (5) | O1_5—Zn5_5—O5_5—C9_5 | 3.9 (5) |
O7_1—Zn1_1—O5_1—C9_1 | −94.2 (5) | O6_5—Zn5_5—O5_5—C8_5 | 89.0 (6) |
O6_1—Zn1_1—O5_1—C9_1 | 86.9 (5) | O7_5—Zn5_5—O5_5—C8_5 | −92.3 (6) |
O2_1—Zn1_1—O5_1—C9_1 | −15.1 (7) | O2_5—Zn5_5—O5_5—C8_5 | −170.4 (5) |
O3_1—Zn1_1—O5_1—C9_1 | 167.5 (4) | O3_5—Zn5_5—O5_5—C8_5 | 7.2 (7) |
O1_1—Zn1_1—O5_1—C9_1 | −2.5 (5) | O4_5—Zn5_5—O5_5—C8_5 | −3.8 (5) |
O4_1—Zn1_1—O5_1—C9_1 | 178.5 (5) | O1_5—Zn5_5—O5_5—C8_5 | 176.5 (6) |
C10_1—O1_1—C1_1—C2_1 | −173.4 (5) | C10_5—O1_5—C1_5—C2_5 | 170.2 (5) |
Zn1_1—O1_1—C1_1—C2_1 | −44.1 (6) | Zn5_5—O1_5—C1_5—C2_5 | 45.8 (6) |
C3_1—O2_1—C2_1—C1_1 | −179.2 (6) | C3_5—O2_5—C2_5—C1_5 | 179.0 (6) |
Zn1_1—O2_1—C2_1—C1_1 | −43.6 (8) | Zn5_5—O2_5—C2_5—C1_5 | 43.3 (7) |
O1_1—C1_1—C2_1—O2_1 | 56.0 (8) | O1_5—C1_5—C2_5—O2_5 | −57.7 (8) |
C2_1—O2_1—C3_1—C4_1 | −178.2 (6) | C2_5—O2_5—C3_5—C4_5 | 179.2 (6) |
Zn1_1—O2_1—C3_1—C4_1 | 46.2 (7) | Zn5_5—O2_5—C3_5—C4_5 | −44.3 (7) |
C5_1—O3_1—C4_1—C3_1 | 174.9 (6) | C5_5—O3_5—C4_5—C3_5 | −173.9 (6) |
Zn1_1—O3_1—C4_1—C3_1 | 43.1 (6) | Zn5_5—O3_5—C4_5—C3_5 | −43.1 (6) |
O2_1—C3_1—C4_1—O3_1 | −56.5 (7) | O2_5—C3_5—C4_5—O3_5 | 55.5 (7) |
C4_1—O3_1—C5_1—C6_1 | −178.7 (6) | C4_5—O3_5—C5_5—C6_5 | −178.7 (6) |
Zn1_1—O3_1—C5_1—C6_1 | −46.6 (7) | Zn5_5—O3_5—C5_5—C6_5 | 49.1 (7) |
C7_1—O4_1—C6_1—C5_1 | −171.5 (7) | C7_5—O4_5—C6_5—C5_5 | 170.6 (7) |
Zn1_1—O4_1—C6_1—C5_1 | −40.3 (8) | Zn5_5—O4_5—C6_5—C5_5 | 41.8 (8) |
O3_1—C5_1—C6_1—O4_1 | 56.5 (8) | O3_5—C5_5—C6_5—O4_5 | −59.8 (8) |
C6_1—O4_1—C7_1—C8_1 | 177.7 (6) | C6_5—O4_5—C7_5—C8_5 | −177.8 (6) |
Zn1_1—O4_1—C7_1—C8_1 | 46.2 (8) | Zn5_5—O4_5—C7_5—C8_5 | −49.3 (7) |
C9_1—O5_1—C8_1—C7_1 | −156.0 (7) | C9_5—O5_5—C8_5—C7_5 | 152.8 (7) |
Zn1_1—O5_1—C8_1—C7_1 | 18.0 (9) | Zn5_5—O5_5—C8_5—C7_5 | −20.0 (9) |
O4_1—C7_1—C8_1—O5_1 | −40.9 (9) | O4_5—C7_5—C8_5—O5_5 | 44.1 (9) |
C8_1—O5_1—C9_1—C10_1 | −157.2 (6) | C8_5—O5_5—C9_5—C10_5 | 154.7 (6) |
Zn1_1—O5_1—C9_1—C10_1 | 28.7 (7) | Zn5_5—O5_5—C9_5—C10_5 | −32.3 (7) |
C1_1—O1_1—C10_1—C9_1 | 177.7 (5) | C1_5—O1_5—C10_5—C9_5 | −177.0 (5) |
Zn1_1—O1_1—C10_1—C9_1 | 48.2 (6) | Zn5_5—O1_5—C10_5—C9_5 | −52.1 (6) |
O5_1—C9_1—C10_1—O1_1 | −47.9 (7) | O5_5—C9_5—C10_5—O1_5 | 53.8 (7) |
O6_2—Zn2_2—O1_2—C10_2 | 118.3 (4) | O7_6—Zn6_6—O1_6—C10_6 | 62.8 (5) |
O7_2—Zn2_2—O1_2—C10_2 | −62.0 (5) | O6_6—Zn6_6—O1_6—C10_6 | −114.7 (5) |
O5_2—Zn2_2—O1_2—C10_2 | 26.9 (4) | O5_6—Zn6_6—O1_6—C10_6 | −26.0 (4) |
O2_2—Zn2_2—O1_2—C10_2 | −145.1 (5) | O2_6—Zn6_6—O1_6—C10_6 | 146.0 (5) |
O3_2—Zn2_2—O1_2—C10_2 | −164.4 (4) | O3_6—Zn6_6—O1_6—C10_6 | 164.5 (4) |
O4_2—Zn2_2—O1_2—C10_2 | 27.3 (6) | O4_6—Zn6_6—O1_6—C10_6 | −24.4 (6) |
O6_2—Zn2_2—O1_2—C1_2 | −115.4 (5) | O7_6—Zn6_6—O1_6—C1_6 | −65.6 (5) |
O7_2—Zn2_2—O1_2—C1_2 | 64.3 (4) | O6_6—Zn6_6—O1_6—C1_6 | 116.9 (5) |
O5_2—Zn2_2—O1_2—C1_2 | 153.1 (5) | O5_6—Zn6_6—O1_6—C1_6 | −154.4 (5) |
O2_2—Zn2_2—O1_2—C1_2 | −18.8 (4) | O2_6—Zn6_6—O1_6—C1_6 | 17.6 (4) |
O3_2—Zn2_2—O1_2—C1_2 | −38.2 (6) | O3_6—Zn6_6—O1_6—C1_6 | 36.1 (6) |
O4_2—Zn2_2—O1_2—C1_2 | 153.5 (5) | O4_6—Zn6_6—O1_6—C1_6 | −152.8 (5) |
O6_2—Zn2_2—O2_2—C2_2 | 70.6 (5) | O7_6—Zn6_6—O2_6—C3_6 | −115.3 (5) |
O7_2—Zn2_2—O2_2—C2_2 | −108.1 (5) | O6_6—Zn6_6—O2_6—C3_6 | 65.3 (5) |
O5_2—Zn2_2—O2_2—C2_2 | −27.4 (7) | O5_6—Zn6_6—O2_6—C3_6 | 164.5 (5) |
O3_2—Zn2_2—O2_2—C2_2 | 153.6 (5) | O3_6—Zn6_6—O2_6—C3_6 | −17.2 (5) |
O4_2—Zn2_2—O2_2—C2_2 | 173.4 (5) | O1_6—Zn6_6—O2_6—C3_6 | 151.6 (5) |
O1_2—Zn2_2—O2_2—C2_2 | −14.6 (5) | O4_6—Zn6_6—O2_6—C3_6 | −38.1 (6) |
O6_2—Zn2_2—O2_2—C3_2 | −67.3 (5) | O7_6—Zn6_6—O2_6—C2_6 | 107.6 (5) |
O7_2—Zn2_2—O2_2—C3_2 | 114.0 (5) | O6_6—Zn6_6—O2_6—C2_6 | −71.8 (5) |
O5_2—Zn2_2—O2_2—C3_2 | −165.3 (5) | O5_6—Zn6_6—O2_6—C2_6 | 27.4 (7) |
O3_2—Zn2_2—O2_2—C3_2 | 15.7 (5) | O3_6—Zn6_6—O2_6—C2_6 | −154.4 (5) |
O4_2—Zn2_2—O2_2—C3_2 | 35.6 (6) | O1_6—Zn6_6—O2_6—C2_6 | 14.4 (5) |
O1_2—Zn2_2—O2_2—C3_2 | −152.5 (5) | O4_6—Zn6_6—O2_6—C2_6 | −175.2 (5) |
O6_2—Zn2_2—O3_2—C5_2 | −112.2 (5) | O7_6—Zn6_6—O3_6—C5_6 | −66.2 (6) |
O7_2—Zn2_2—O3_2—C5_2 | 68.8 (6) | O6_6—Zn6_6—O3_6—C5_6 | 111.7 (6) |
O5_2—Zn2_2—O3_2—C5_2 | −28.5 (7) | O5_6—Zn6_6—O3_6—C5_6 | 30.4 (7) |
O2_2—Zn2_2—O3_2—C5_2 | 150.5 (5) | O2_6—Zn6_6—O3_6—C5_6 | −147.9 (6) |
O4_2—Zn2_2—O3_2—C5_2 | −17.5 (5) | O1_6—Zn6_6—O3_6—C5_6 | −166.4 (5) |
O1_2—Zn2_2—O3_2—C5_2 | 169.9 (5) | O4_6—Zn6_6—O3_6—C5_6 | 19.2 (5) |
O6_2—Zn2_2—O3_2—C4_2 | 113.5 (5) | O7_6—Zn6_6—O3_6—C4_6 | 66.5 (5) |
O7_2—Zn2_2—O3_2—C4_2 | −65.4 (5) | O6_6—Zn6_6—O3_6—C4_6 | −115.7 (5) |
O5_2—Zn2_2—O3_2—C4_2 | −162.8 (5) | O5_6—Zn6_6—O3_6—C4_6 | 163.1 (5) |
O2_2—Zn2_2—O3_2—C4_2 | 16.2 (4) | O2_6—Zn6_6—O3_6—C4_6 | −15.2 (4) |
O4_2—Zn2_2—O3_2—C4_2 | −151.8 (5) | O1_6—Zn6_6—O3_6—C4_6 | −33.8 (6) |
O1_2—Zn2_2—O3_2—C4_2 | 35.6 (6) | O4_6—Zn6_6—O3_6—C4_6 | 151.9 (5) |
O6_2—Zn2_2—O4_2—C7_2 | −60.7 (5) | O7_6—Zn6_6—O4_6—C6_6 | 109.2 (6) |
O7_2—Zn2_2—O4_2—C7_2 | 118.6 (5) | O6_6—Zn6_6—O4_6—C6_6 | −72.7 (6) |
O5_2—Zn2_2—O4_2—C7_2 | 28.6 (5) | O5_6—Zn6_6—O4_6—C6_6 | −160.7 (6) |
O2_2—Zn2_2—O4_2—C7_2 | −164.4 (5) | O2_6—Zn6_6—O4_6—C6_6 | 33.1 (7) |
O3_2—Zn2_2—O4_2—C7_2 | −144.6 (5) | O3_6—Zn6_6—O4_6—C6_6 | 12.3 (5) |
O1_2—Zn2_2—O4_2—C7_2 | 28.2 (6) | O1_6—Zn6_6—O4_6—C6_6 | −162.3 (5) |
O6_2—Zn2_2—O4_2—C6_2 | 68.7 (5) | O7_6—Zn6_6—O4_6—C7_6 | −118.8 (5) |
O7_2—Zn2_2—O4_2—C6_2 | −112.0 (5) | O6_6—Zn6_6—O4_6—C7_6 | 59.2 (5) |
O5_2—Zn2_2—O4_2—C6_2 | 158.1 (6) | O5_6—Zn6_6—O4_6—C7_6 | −28.7 (4) |
O2_2—Zn2_2—O4_2—C6_2 | −34.9 (7) | O2_6—Zn6_6—O4_6—C7_6 | 165.1 (4) |
O3_2—Zn2_2—O4_2—C6_2 | −15.1 (5) | O3_6—Zn6_6—O4_6—C7_6 | 144.3 (5) |
O1_2—Zn2_2—O4_2—C6_2 | 157.7 (5) | O1_6—Zn6_6—O4_6—C7_6 | −30.3 (6) |
O6_2—Zn2_2—O5_2—C9_2 | −83.1 (5) | O7_6—Zn6_6—O5_6—C8_6 | 91.6 (6) |
O7_2—Zn2_2—O5_2—C9_2 | 95.4 (5) | O6_6—Zn6_6—O5_6—C8_6 | −87.5 (6) |
O2_2—Zn2_2—O5_2—C9_2 | 16.5 (7) | O2_6—Zn6_6—O5_6—C8_6 | 170.0 (5) |
O3_2—Zn2_2—O5_2—C9_2 | −165.1 (5) | O3_6—Zn6_6—O5_6—C8_6 | −7.2 (7) |
O4_2—Zn2_2—O5_2—C9_2 | −176.2 (6) | O1_6—Zn6_6—O5_6—C8_6 | −176.9 (6) |
O1_2—Zn2_2—O5_2—C9_2 | 3.6 (5) | O4_6—Zn6_6—O5_6—C8_6 | 4.1 (6) |
O6_2—Zn2_2—O5_2—C8_2 | 91.0 (6) | O7_6—Zn6_6—O5_6—C9_6 | −94.5 (5) |
O7_2—Zn2_2—O5_2—C8_2 | −90.5 (6) | O6_6—Zn6_6—O5_6—C9_6 | 86.4 (5) |
O2_2—Zn2_2—O5_2—C8_2 | −169.4 (5) | O2_6—Zn6_6—O5_6—C9_6 | −16.0 (7) |
O3_2—Zn2_2—O5_2—C8_2 | 9.0 (7) | O3_6—Zn6_6—O5_6—C9_6 | 166.7 (5) |
O4_2—Zn2_2—O5_2—C8_2 | −2.1 (5) | O1_6—Zn6_6—O5_6—C9_6 | −2.9 (5) |
O1_2—Zn2_2—O5_2—C8_2 | 177.7 (6) | O4_6—Zn6_6—O5_6—C9_6 | 178.1 (5) |
C10_2—O1_2—C1_2—C2_2 | 170.7 (6) | C10_6—O1_6—C1_6—C2_6 | −173.1 (6) |
Zn2_2—O1_2—C1_2—C2_2 | 47.1 (6) | Zn6_6—O1_6—C1_6—C2_6 | −45.1 (7) |
C3_2—O2_2—C2_2—C1_2 | −179.1 (7) | C3_6—O2_6—C2_6—C1_6 | −179.9 (7) |
Zn2_2—O2_2—C2_2—C1_2 | 43.7 (8) | Zn6_6—O2_6—C2_6—C1_6 | −43.1 (8) |
O1_2—C1_2—C2_2—O2_2 | −59.6 (8) | O1_6—C1_6—C2_6—O2_6 | 57.0 (8) |
C2_2—O2_2—C3_2—C4_2 | −179.8 (7) | C2_6—O2_6—C3_6—C4_6 | −179.0 (7) |
Zn2_2—O2_2—C3_2—C4_2 | −42.6 (7) | Zn6_6—O2_6—C3_6—C4_6 | 44.7 (7) |
C5_2—O3_2—C4_2—C3_2 | −175.8 (6) | C5_6—O3_6—C4_6—C3_6 | 174.9 (6) |
Zn2_2—O3_2—C4_2—C3_2 | −43.0 (7) | Zn6_6—O3_6—C4_6—C3_6 | 43.0 (7) |
O2_2—C3_2—C4_2—O3_2 | 54.4 (8) | O2_6—C3_6—C4_6—O3_6 | −55.9 (8) |
C4_2—O3_2—C5_2—C6_2 | −179.5 (6) | C4_6—O3_6—C5_6—C6_6 | −177.4 (6) |
Zn2_2—O3_2—C5_2—C6_2 | 46.7 (8) | Zn6_6—O3_6—C5_6—C6_6 | −45.5 (8) |
C7_2—O4_2—C6_2—C5_2 | 170.2 (7) | C7_6—O4_6—C6_6—C5_6 | −169.6 (7) |
Zn2_2—O4_2—C6_2—C5_2 | 43.4 (8) | Zn6_6—O4_6—C6_6—C5_6 | −40.2 (8) |
O3_2—C5_2—C6_2—O4_2 | −59.0 (8) | O3_6—C5_6—C6_6—O4_6 | 56.1 (9) |
C6_2—O4_2—C7_2—C8_2 | −177.9 (6) | C6_6—O4_6—C7_6—C8_6 | 178.8 (7) |
Zn2_2—O4_2—C7_2—C8_2 | −50.4 (8) | Zn6_6—O4_6—C7_6—C8_6 | 48.6 (7) |
C9_2—O5_2—C8_2—C7_2 | 151.2 (7) | C9_6—O5_6—C8_6—C7_6 | −154.0 (7) |
Zn2_2—O5_2—C8_2—C7_2 | −23.1 (9) | Zn6_6—O5_6—C8_6—C7_6 | 20.1 (9) |
O4_2—C7_2—C8_2—O5_2 | 46.8 (9) | O4_6—C7_6—C8_6—O5_6 | −43.8 (9) |
C8_2—O5_2—C9_2—C10_2 | 154.6 (6) | C8_6—O5_6—C9_6—C10_6 | −156.5 (7) |
Zn2_2—O5_2—C9_2—C10_2 | −31.0 (7) | Zn6_6—O5_6—C9_6—C10_6 | 29.4 (7) |
C1_2—O1_2—C10_2—C9_2 | −174.4 (6) | C1_6—O1_6—C10_6—C9_6 | 176.7 (6) |
Zn2_2—O1_2—C10_2—C9_2 | −50.7 (6) | Zn6_6—O1_6—C10_6—C9_6 | 48.9 (6) |
O5_2—C9_2—C10_2—O1_2 | 52.4 (7) | O5_6—C9_6—C10_6—O1_6 | −48.9 (7) |
Zn9_9—O6_3—Zn3_3—O7_3 | −7 (6) | Zn10_10—O6_7—Zn7_7—O7_7 | −55 (7) |
Zn9_9—O6_3—Zn3_3—O5_3 | −8.8 (14) | Zn10_10—O6_7—Zn7_7—O5_7 | −3.7 (14) |
Zn9_9—O6_3—Zn3_3—O2_3 | 135.1 (14) | Zn10_10—O6_7—Zn7_7—O2_7 | −147.4 (15) |
Zn9_9—O6_3—Zn3_3—O3_3 | −153.0 (14) | Zn10_10—O6_7—Zn7_7—O3_7 | 140.1 (15) |
Zn9_9—O6_3—Zn3_3—O1_3 | 62.3 (14) | Zn10_10—O6_7—Zn7_7—O4_7 | 67.1 (15) |
Zn9_9—O6_3—Zn3_3—O4_3 | −79.6 (14) | Zn10_10—O6_7—Zn7_7—O1_7 | −74.7 (15) |
Zn9_9—O7_3—Zn3_3—O6_3 | 7 (6) | Zn10_10—O7_7—Zn7_7—O6_7 | 56 (7) |
Zn9_9—O7_3—Zn3_3—O5_3 | 9.0 (14) | Zn10_10—O7_7—Zn7_7—O5_7 | 4.5 (14) |
Zn9_9—O7_3—Zn3_3—O2_3 | −135.1 (14) | Zn10_10—O7_7—Zn7_7—O2_7 | 148.4 (15) |
Zn9_9—O7_3—Zn3_3—O3_3 | 153.1 (15) | Zn10_10—O7_7—Zn7_7—O3_7 | −139.4 (15) |
Zn9_9—O7_3—Zn3_3—O1_3 | −62.0 (14) | Zn10_10—O7_7—Zn7_7—O4_7 | −66.3 (15) |
Zn9_9—O7_3—Zn3_3—O4_3 | 79.9 (14) | Zn10_10—O7_7—Zn7_7—O1_7 | 75.5 (15) |
O6_3—Zn3_3—O1_3—C10_3 | −115.4 (5) | O6_7—Zn7_7—O1_7—C1_7 | −115.7 (5) |
O7_3—Zn3_3—O1_3—C10_3 | 61.7 (5) | O7_7—Zn7_7—O1_7—C1_7 | 65.1 (5) |
O5_3—Zn3_3—O1_3—C10_3 | −25.5 (5) | O5_7—Zn7_7—O1_7—C1_7 | 152.6 (5) |
O2_3—Zn3_3—O1_3—C10_3 | 144.0 (5) | O2_7—Zn7_7—O1_7—C1_7 | −18.3 (5) |
O3_3—Zn3_3—O1_3—C10_3 | 163.9 (5) | O3_7—Zn7_7—O1_7—C1_7 | −40.3 (7) |
O4_3—Zn3_3—O1_3—C10_3 | −25.6 (7) | O4_7—Zn7_7—O1_7—C1_7 | 156.0 (5) |
O6_3—Zn3_3—O1_3—C1_3 | 117.1 (5) | O6_7—Zn7_7—O1_7—C10_7 | 118.1 (5) |
O7_3—Zn3_3—O1_3—C1_3 | −65.8 (5) | O7_7—Zn7_7—O1_7—C10_7 | −61.1 (5) |
O5_3—Zn3_3—O1_3—C1_3 | −153.0 (5) | O5_7—Zn7_7—O1_7—C10_7 | 26.4 (5) |
O2_3—Zn3_3—O1_3—C1_3 | 16.5 (5) | O2_7—Zn7_7—O1_7—C10_7 | −144.4 (5) |
O3_3—Zn3_3—O1_3—C1_3 | 36.5 (7) | O3_7—Zn7_7—O1_7—C10_7 | −166.5 (5) |
O4_3—Zn3_3—O1_3—C1_3 | −153.0 (5) | O4_7—Zn7_7—O1_7—C10_7 | 29.8 (7) |
O6_3—Zn3_3—O2_3—C2_3 | −68.5 (6) | O6_7—Zn7_7—O2_7—C3_7 | −68.8 (5) |
O7_3—Zn3_3—O2_3—C2_3 | 109.6 (6) | O7_7—Zn7_7—O2_7—C3_7 | 113.6 (6) |
O5_3—Zn3_3—O2_3—C2_3 | 33.2 (7) | O5_7—Zn7_7—O2_7—C3_7 | −166.6 (5) |
O3_3—Zn3_3—O2_3—C2_3 | −151.4 (6) | O3_7—Zn7_7—O2_7—C3_7 | 14.7 (5) |
O1_3—Zn3_3—O2_3—C2_3 | 16.6 (6) | O4_7—Zn7_7—O2_7—C3_7 | 34.2 (7) |
O4_3—Zn3_3—O2_3—C2_3 | −174.3 (6) | O1_7—Zn7_7—O2_7—C3_7 | −151.9 (6) |
O6_3—Zn3_3—O2_3—C3_3 | 65.7 (5) | O6_7—Zn7_7—O2_7—C2_7 | 68.2 (6) |
O7_3—Zn3_3—O2_3—C3_3 | −116.2 (6) | O7_7—Zn7_7—O2_7—C2_7 | −109.3 (6) |
O5_3—Zn3_3—O2_3—C3_3 | 167.4 (5) | O5_7—Zn7_7—O2_7—C2_7 | −29.6 (8) |
O3_3—Zn3_3—O2_3—C3_3 | −17.2 (5) | O3_7—Zn7_7—O2_7—C2_7 | 151.7 (6) |
O1_3—Zn3_3—O2_3—C3_3 | 150.8 (6) | O4_7—Zn7_7—O2_7—C2_7 | 171.2 (6) |
O4_3—Zn3_3—O2_3—C3_3 | −40.1 (7) | O1_7—Zn7_7—O2_7—C2_7 | −14.9 (6) |
O6_3—Zn3_3—O3_3—C5_3 | 112.1 (6) | O6_7—Zn7_7—O3_7—C5_7 | −111.7 (6) |
O7_3—Zn3_3—O3_3—C5_3 | −66.2 (6) | O7_7—Zn7_7—O3_7—C5_7 | 68.9 (6) |
O5_3—Zn3_3—O3_3—C5_3 | 28.7 (8) | O5_7—Zn7_7—O3_7—C5_7 | −27.8 (8) |
O2_3—Zn3_3—O3_3—C5_3 | −146.7 (6) | O2_7—Zn7_7—O3_7—C5_7 | 150.9 (7) |
O1_3—Zn3_3—O3_3—C5_3 | −166.7 (6) | O4_7—Zn7_7—O3_7—C5_7 | −17.4 (6) |
O4_3—Zn3_3—O3_3—C5_3 | 19.4 (6) | O1_7—Zn7_7—O3_7—C5_7 | 173.0 (6) |
O6_3—Zn3_3—O3_3—C4_3 | −115.3 (5) | O6_7—Zn7_7—O3_7—C4_7 | 114.8 (5) |
O7_3—Zn3_3—O3_3—C4_3 | 66.4 (5) | O7_7—Zn7_7—O3_7—C4_7 | −64.5 (5) |
O5_3—Zn3_3—O3_3—C4_3 | 161.2 (5) | O5_7—Zn7_7—O3_7—C4_7 | −161.2 (5) |
O2_3—Zn3_3—O3_3—C4_3 | −14.1 (5) | O2_7—Zn7_7—O3_7—C4_7 | 17.5 (5) |
O1_3—Zn3_3—O3_3—C4_3 | −34.1 (7) | O4_7—Zn7_7—O3_7—C4_7 | −150.9 (6) |
O4_3—Zn3_3—O3_3—C4_3 | 152.0 (5) | O1_7—Zn7_7—O3_7—C4_7 | 39.5 (7) |
O6_3—Zn3_3—O4_3—C7_3 | 57.7 (5) | O6_7—Zn7_7—O4_7—C7_7 | −60.3 (6) |
O7_3—Zn3_3—O4_3—C7_3 | −119.3 (5) | O7_7—Zn7_7—O4_7—C7_7 | 117.7 (5) |
O5_3—Zn3_3—O4_3—C7_3 | −31.0 (5) | O5_7—Zn7_7—O4_7—C7_7 | 28.8 (5) |
O2_3—Zn3_3—O4_3—C7_3 | 166.1 (5) | O2_7—Zn7_7—O4_7—C7_7 | −164.2 (5) |
O3_3—Zn3_3—O4_3—C7_3 | 143.3 (6) | O3_7—Zn7_7—O4_7—C7_7 | −144.7 (6) |
O1_3—Zn3_3—O4_3—C7_3 | −31.0 (7) | O1_7—Zn7_7—O4_7—C7_7 | 25.4 (7) |
O6_3—Zn3_3—O4_3—C6_3 | −73.1 (6) | O6_7—Zn7_7—O4_7—C6_7 | 68.8 (6) |
O7_3—Zn3_3—O4_3—C6_3 | 109.9 (6) | O7_7—Zn7_7—O4_7—C6_7 | −113.2 (6) |
O5_3—Zn3_3—O4_3—C6_3 | −161.8 (6) | O5_7—Zn7_7—O4_7—C6_7 | 157.9 (6) |
O2_3—Zn3_3—O4_3—C6_3 | 35.3 (8) | O2_7—Zn7_7—O4_7—C6_7 | −35.1 (8) |
O3_3—Zn3_3—O4_3—C6_3 | 12.4 (6) | O3_7—Zn7_7—O4_7—C6_7 | −15.6 (6) |
O1_3—Zn3_3—O4_3—C6_3 | −161.8 (6) | O1_7—Zn7_7—O4_7—C6_7 | 154.5 (6) |
O6_3—Zn3_3—O5_3—C9_3 | 83.3 (6) | O6_7—Zn7_7—O5_7—C8_7 | 89.9 (7) |
O7_3—Zn3_3—O5_3—C9_3 | −96.6 (6) | O7_7—Zn7_7—O5_7—C8_7 | −92.0 (7) |
O2_3—Zn3_3—O5_3—C9_3 | −21.8 (8) | O2_7—Zn7_7—O5_7—C8_7 | −170.5 (6) |
O3_3—Zn3_3—O5_3—C9_3 | 165.7 (6) | O3_7—Zn7_7—O5_7—C8_7 | 7.4 (8) |
O1_3—Zn3_3—O5_3—C9_3 | −4.9 (6) | O4_7—Zn7_7—O5_7—C8_7 | −3.1 (6) |
O4_3—Zn3_3—O5_3—C9_3 | 175.0 (6) | O1_7—Zn7_7—O5_7—C8_7 | 174.7 (7) |
O6_3—Zn3_3—O5_3—C8_3 | −84.9 (6) | O6_7—Zn7_7—O5_7—C9_7 | −80.4 (6) |
O7_3—Zn3_3—O5_3—C8_3 | 95.2 (7) | O7_7—Zn7_7—O5_7—C9_7 | 97.7 (6) |
O2_3—Zn3_3—O5_3—C8_3 | 170.0 (6) | O2_7—Zn7_7—O5_7—C9_7 | 19.2 (8) |
O3_3—Zn3_3—O5_3—C8_3 | −2.5 (8) | O3_7—Zn7_7—O5_7—C9_7 | −162.9 (6) |
O1_3—Zn3_3—O5_3—C8_3 | −173.1 (7) | O4_7—Zn7_7—O5_7—C9_7 | −173.3 (6) |
O4_3—Zn3_3—O5_3—C8_3 | 6.9 (6) | O1_7—Zn7_7—O5_7—C9_7 | 4.4 (6) |
C10_3—O1_3—C1_3—C2_3 | −171.9 (7) | C10_7—O1_7—C1_7—C2_7 | 171.9 (7) |
Zn3_3—O1_3—C1_3—C2_3 | −45.1 (8) | Zn7_7—O1_7—C1_7—C2_7 | 47.0 (8) |
C3_3—O2_3—C2_3—C1_3 | 179.6 (8) | C3_7—O2_7—C2_7—C1_7 | −179.1 (8) |
Zn3_3—O2_3—C2_3—C1_3 | −45.1 (9) | Zn7_7—O2_7—C2_7—C1_7 | 43.4 (9) |
O1_3—C1_3—C2_3—O2_3 | 58.7 (10) | O1_7—C1_7—C2_7—O2_7 | −59.1 (10) |
C2_3—O2_3—C3_3—C4_3 | 177.6 (8) | C2_7—O2_7—C3_7—C4_7 | −178.5 (8) |
Zn3_3—O2_3—C3_3—C4_3 | 43.1 (8) | Zn7_7—O2_7—C3_7—C4_7 | −41.3 (8) |
C5_3—O3_3—C4_3—C3_3 | 172.8 (7) | C5_7—O3_7—C4_7—C3_7 | −178.1 (7) |
Zn3_3—O3_3—C4_3—C3_3 | 41.2 (8) | Zn7_7—O3_7—C4_7—C3_7 | −44.8 (8) |
O2_3—C3_3—C4_3—O3_3 | −53.4 (9) | O2_7—C3_7—C4_7—O3_7 | 54.5 (9) |
C4_3—O3_3—C5_3—C6_3 | −178.6 (7) | C4_7—O3_7—C5_7—C6_7 | 179.0 (7) |
Zn3_3—O3_3—C5_3—C6_3 | −46.6 (9) | Zn7_7—O3_7—C5_7—C6_7 | 46.1 (9) |
C7_3—O4_3—C6_3—C5_3 | −169.2 (8) | C7_7—O4_7—C6_7—C5_7 | 170.0 (8) |
Zn3_3—O4_3—C6_3—C5_3 | −40.8 (9) | Zn7_7—O4_7—C6_7—C5_7 | 43.4 (9) |
O3_3—C5_3—C6_3—O4_3 | 57.6 (10) | O3_7—C5_7—C6_7—O4_7 | −58.2 (10) |
C6_3—O4_3—C7_3—C8_3 | 178.4 (8) | C6_7—O4_7—C7_7—C8_7 | −176.8 (8) |
Zn3_3—O4_3—C7_3—C8_3 | 50.0 (9) | Zn7_7—O4_7—C7_7—C8_7 | −50.0 (9) |
C9_3—O5_3—C8_3—C7_3 | −151.4 (8) | C9_7—O5_7—C8_7—C7_7 | 148.3 (8) |
Zn3_3—O5_3—C8_3—C7_3 | 17.0 (11) | Zn7_7—O5_7—C8_7—C7_7 | −22.0 (10) |
O4_3—C7_3—C8_3—O5_3 | −42.9 (11) | O4_7—C7_7—C8_7—O5_7 | 46.0 (11) |
C8_3—O5_3—C9_3—C10_3 | −159.4 (7) | C8_7—O5_7—C9_7—C10_7 | 156.6 (7) |
Zn3_3—O5_3—C9_3—C10_3 | 32.2 (8) | Zn7_7—O5_7—C9_7—C10_7 | −32.9 (8) |
C1_3—O1_3—C10_3—C9_3 | 175.9 (7) | C1_7—O1_7—C10_7—C9_7 | −174.7 (7) |
Zn3_3—O1_3—C10_3—C9_3 | 49.7 (7) | Zn7_7—O1_7—C10_7—C9_7 | −50.6 (7) |
O5_3—C9_3—C10_3—O1_3 | −51.2 (8) | O5_7—C9_7—C10_7—O1_7 | 52.7 (8) |
Zn3_3—O7_3—Zn9_9—O5_9 | 9.9 (14) | Zn7_7—O7_7—Zn10_10—O6_7 | −12.6 (19) |
Zn3_3—O7_3—Zn9_9—O6_3 | −3 (2) | Zn7_7—O7_7—Zn10_10—O5_10 | 4.8 (15) |
Zn3_3—O7_3—Zn9_9—O2_9 | −133.9 (14) | Zn7_7—O7_7—Zn10_10—O2_10 | 148.3 (15) |
Zn3_3—O7_3—Zn9_9—O3_9 | 153.5 (14) | Zn7_7—O7_7—Zn10_10—O3_10 | −139.3 (15) |
Zn3_3—O7_3—Zn9_9—O1_9 | −62.8 (14) | Zn7_7—O7_7—Zn10_10—O4_10 | −66.8 (15) |
Zn3_3—O7_3—Zn9_9—O4_9 | 81.5 (14) | Zn7_7—O7_7—Zn10_10—O1_10 | 76.2 (15) |
Zn3_3—O6_3—Zn9_9—O7_3 | 3 (3) | Zn7_7—O6_7—Zn10_10—O7_7 | 13 (2) |
Zn3_3—O6_3—Zn9_9—O5_9 | −9.6 (14) | Zn7_7—O6_7—Zn10_10—O5_10 | −4.0 (15) |
Zn3_3—O6_3—Zn9_9—O2_9 | 134.6 (14) | Zn7_7—O6_7—Zn10_10—O2_10 | −147.8 (15) |
Zn3_3—O6_3—Zn9_9—O3_9 | −153.2 (14) | Zn7_7—O6_7—Zn10_10—O3_10 | 139.6 (15) |
Zn3_3—O6_3—Zn9_9—O1_9 | 62.8 (14) | Zn7_7—O6_7—Zn10_10—O4_10 | 67.8 (15) |
Zn3_3—O6_3—Zn9_9—O4_9 | −81.5 (14) | Zn7_7—O6_7—Zn10_10—O1_10 | −75.3 (15) |
O7_3—Zn9_9—O1_9—C1_9 | −117.7 (3) | O7_7—Zn10_10—O1_10—C10_10 | −110.6 (3) |
O5_9—Zn9_9—O1_9—C1_9 | 156.0 | O6_7—Zn10_10—O1_10—C10_10 | 60.6 (2) |
O6_3—Zn9_9—O1_9—C1_9 | 68.4 (2) | O5_10—Zn10_10—O1_10—C10_10 | −25.2 |
O2_9—Zn9_9—O1_9—C1_9 | −18.3 | O2_10—Zn10_10—O1_10—C10_10 | 148.9 |
O3_9—Zn9_9—O1_9—C1_9 | −32.6 | O3_10—Zn10_10—O1_10—C10_10 | 163.5 |
O4_9—Zn9_9—O1_9—C1_9 | 155.6 | O4_10—Zn10_10—O1_10—C10_10 | −23.4 |
O7_3—Zn9_9—O1_9—C10_9 | 112.3 (3) | O7_7—Zn10_10—O1_10—C1_10 | 118.0 (3) |
O5_9—Zn9_9—O1_9—C10_9 | 26.0 | O6_7—Zn10_10—O1_10—C1_10 | −70.9 (2) |
O6_3—Zn9_9—O1_9—C10_9 | −61.7 (2) | O5_10—Zn10_10—O1_10—C1_10 | −156.6 |
O2_9—Zn9_9—O1_9—C10_9 | −148.3 | O2_10—Zn10_10—O1_10—C1_10 | 17.4 |
O3_9—Zn9_9—O1_9—C10_9 | −162.7 | O3_10—Zn10_10—O1_10—C1_10 | 32.1 |
O4_9—Zn9_9—O1_9—C10_9 | 25.6 | O4_10—Zn10_10—O1_10—C1_10 | −154.8 |
O7_3—Zn9_9—O2_9—C3_9 | −71.4 (3) | O7_7—Zn10_10—O2_10—C3_10 | 68.3 (3) |
O5_9—Zn9_9—O2_9—C3_9 | −164.4 | O6_7—Zn10_10—O2_10—C3_10 | −114.6 (3) |
O6_3—Zn9_9—O2_9—C3_9 | 114.0 (2) | O5_10—Zn10_10—O2_10—C3_10 | 164.2 |
O3_9—Zn9_9—O2_9—C3_9 | 16.0 | O3_10—Zn10_10—O2_10—C3_10 | −16.5 |
O1_9—Zn9_9—O2_9—C3_9 | −155.1 | O4_10—Zn10_10—O2_10—C3_10 | −33.3 |
O4_9—Zn9_9—O2_9—C3_9 | 30.9 | O1_10—Zn10_10—O2_10—C3_10 | 154.7 |
O7_3—Zn9_9—O2_9—C2_9 | 71.2 (3) | O7_7—Zn10_10—O2_10—C2_10 | −71.5 (3) |
O5_9—Zn9_9—O2_9—C2_9 | −21.8 | O6_7—Zn10_10—O2_10—C2_10 | 105.6 (3) |
O6_3—Zn9_9—O2_9—C2_9 | −103.4 (3) | O5_10—Zn10_10—O2_10—C2_10 | 24.4 |
O3_9—Zn9_9—O2_9—C2_9 | 158.6 | O3_10—Zn10_10—O2_10—C2_10 | −156.3 |
O1_9—Zn9_9—O2_9—C2_9 | −12.6 | O4_10—Zn10_10—O2_10—C2_10 | −173.1 |
O4_9—Zn9_9—O2_9—C2_9 | 173.5 | O1_10—Zn10_10—O2_10—C2_10 | 14.8 |
O7_3—Zn9_9—O3_9—C5_9 | −109.9 (3) | O7_7—Zn10_10—O3_10—C4_10 | −116.5 (3) |
O5_9—Zn9_9—O3_9—C5_9 | −27.8 | O6_7—Zn10_10—O3_10—C4_10 | 70.7 (3) |
O6_3—Zn9_9—O3_9—C5_9 | 67.3 (3) | O5_10—Zn10_10—O3_10—C4_10 | 163.9 |
O2_9—Zn9_9—O3_9—C5_9 | 151.8 | O2_10—Zn10_10—O3_10—C4_10 | −15.5 |
O1_9—Zn9_9—O3_9—C5_9 | 166.1 | O4_10—Zn10_10—O3_10—C4_10 | 154.3 |
O4_9—Zn9_9—O3_9—C5_9 | −19.0 | O1_10—Zn10_10—O3_10—C4_10 | −30.1 |
O7_3—Zn9_9—O3_9—C4_9 | 114.2 (3) | O7_7—Zn10_10—O3_10—C5_10 | 108.2 (3) |
O5_9—Zn9_9—O3_9—C4_9 | −163.8 | O6_7—Zn10_10—O3_10—C5_10 | −64.7 (3) |
O6_3—Zn9_9—O3_9—C4_9 | −68.6 (3) | O5_10—Zn10_10—O3_10—C5_10 | 28.6 |
O2_9—Zn9_9—O3_9—C4_9 | 15.9 | O2_10—Zn10_10—O3_10—C5_10 | −150.8 |
O1_9—Zn9_9—O3_9—C4_9 | 30.1 | O4_10—Zn10_10—O3_10—C5_10 | 18.9 |
O4_9—Zn9_9—O3_9—C4_9 | −154.9 | O1_10—Zn10_10—O3_10—C5_10 | −165.4 |
O7_3—Zn9_9—O4_9—C6_9 | 76.1 (3) | O7_7—Zn10_10—O4_10—C7_10 | 56.7 (3) |
O5_9—Zn9_9—O4_9—C6_9 | 161.0 | O6_7—Zn10_10—O4_10—C7_10 | −116.1 (2) |
O6_3—Zn9_9—O4_9—C6_9 | −110.9 (2) | O5_10—Zn10_10—O4_10—C7_10 | −29.0 |
O2_9—Zn9_9—O4_9—C6_9 | −28.4 | O2_10—Zn10_10—O4_10—C7_10 | 161.9 |
O3_9—Zn9_9—O4_9—C6_9 | −13.4 | O3_10—Zn10_10—O4_10—C7_10 | 145.0 |
O1_9—Zn9_9—O4_9—C6_9 | 161.5 | O1_10—Zn10_10—O4_10—C7_10 | −30.8 |
O7_3—Zn9_9—O4_9—C7_9 | −59.1 (3) | O7_7—Zn10_10—O4_10—C6_10 | −74.7 (3) |
O5_9—Zn9_9—O4_9—C7_9 | 25.8 | O6_7—Zn10_10—O4_10—C6_10 | 112.5 (2) |
O6_3—Zn9_9—O4_9—C7_9 | 113.9 (2) | O5_10—Zn10_10—O4_10—C6_10 | −160.4 |
O2_9—Zn9_9—O4_9—C7_9 | −163.6 | O2_10—Zn10_10—O4_10—C6_10 | 30.5 |
O3_9—Zn9_9—O4_9—C7_9 | −148.6 | O3_10—Zn10_10—O4_10—C6_10 | 13.6 |
O1_9—Zn9_9—O4_9—C7_9 | 26.2 | O1_10—Zn10_10—O4_10—C6_10 | −162.2 |
O7_3—Zn9_9—O5_9—C9_9 | −84.7 (3) | O7_7—Zn10_10—O5_10—C9_10 | 88.0 (3) |
O6_3—Zn9_9—O5_9—C9_9 | 93.7 (3) | O6_7—Zn10_10—O5_10—C9_10 | −94.6 (3) |
O2_9—Zn9_9—O5_9—C9_9 | 12.3 | O2_10—Zn10_10—O5_10—C9_10 | −12.6 |
O3_9—Zn9_9—O5_9—C9_9 | −168.2 | O3_10—Zn10_10—O5_10—C9_10 | 168.4 |
O1_9—Zn9_9—O5_9—C9_9 | 3.1 | O4_10—Zn10_10—O5_10—C9_10 | 178.1 |
O4_9—Zn9_9—O5_9—C9_9 | −177.1 | O1_10—Zn10_10—O5_10—C9_10 | −3.0 |
O7_3—Zn9_9—O5_9—C8_9 | 91.5 (3) | O7_7—Zn10_10—O5_10—C8_10 | −87.2 (3) |
O6_3—Zn9_9—O5_9—C8_9 | −90.1 (3) | O6_7—Zn10_10—O5_10—C8_10 | 90.2 (3) |
O2_9—Zn9_9—O5_9—C8_9 | −171.5 | O2_10—Zn10_10—O5_10—C8_10 | 172.2 |
O3_9—Zn9_9—O5_9—C8_9 | 8.0 | O3_10—Zn10_10—O5_10—C8_10 | −6.8 |
O1_9—Zn9_9—O5_9—C8_9 | 179.3 | O4_10—Zn10_10—O5_10—C8_10 | 2.9 |
O4_9—Zn9_9—O5_9—C8_9 | −0.9 | O1_10—Zn10_10—O5_10—C8_10 | −178.2 |
C10_9—O1_9—C1_9—C2_9 | 174.8 | C10_10—O1_10—C1_10—C2_10 | −173.7 |
Zn9_9—O1_9—C1_9—C2_9 | 45.1 | Zn10_10—O1_10—C1_10—C2_10 | −43.6 |
O1_9—C1_9—C2_9—O2_9 | −52.6 | C3_10—O2_10—C2_10—C1_10 | 177.0 |
C3_9—O2_9—C2_9—C1_9 | −178.0 | Zn10_10—O2_10—C2_10—C1_10 | −41.9 |
Zn9_9—O2_9—C2_9—C1_9 | 39.5 | O1_10—C1_10—C2_10—O2_10 | 53.2 |
C2_9—O2_9—C3_9—C4_9 | 174.8 | C2_10—O2_10—C3_10—C4_10 | −175.8 |
Zn9_9—O2_9—C3_9—C4_9 | −42.3 | Zn10_10—O2_10—C3_10—C4_10 | 42.4 |
C5_9—O3_9—C4_9—C3_9 | −178.9 | C5_10—O3_10—C4_10—C3_10 | 176.5 |
Zn9_9—O3_9—C4_9—C3_9 | −42.4 | Zn10_10—O3_10—C4_10—C3_10 | 41.2 |
O2_9—C3_9—C4_9—O3_9 | 53.0 | O2_10—C3_10—C4_10—O3_10 | −52.0 |
C4_9—O3_9—C5_9—C6_9 | −178.8 | C4_10—O3_10—C5_10—C6_10 | 177.5 |
Zn9_9—O3_9—C5_9—C6_9 | 45.1 | Zn10_10—O3_10—C5_10—C6_10 | −46.8 |
C7_9—O4_9—C6_9—C5_9 | 172.8 | C7_10—O4_10—C6_10—C5_10 | −173.9 |
Zn9_9—O4_9—C6_9—C5_9 | 39.9 | Zn10_10—O4_10—C6_10—C5_10 | −42.7 |
O3_9—C5_9—C6_9—O4_9 | −53.7 | O3_10—C5_10—C6_10—O4_10 | 56.3 |
C6_9—O4_9—C7_9—C8_9 | 178.7 | C6_10—O4_10—C7_10—C8_10 | 179.4 |
Zn9_9—O4_9—C7_9—C8_9 | −46.6 | Zn10_10—O4_10—C7_10—C8_10 | 47.7 |
C9_9—O5_9—C8_9—C7_9 | 153.0 | C9_10—O5_10—C8_10—C7_10 | −154.9 |
Zn9_9—O5_9—C8_9—C7_9 | −23.3 | Zn10_10—O5_10—C8_10—C7_10 | 20.6 |
O4_9—C7_9—C8_9—O5_9 | 44.1 | O4_10—C7_10—C8_10—O5_10 | −42.7 |
C8_9—O5_9—C9_9—C10_9 | 153.8 | C8_10—O5_10—C9_10—C10_10 | −156.2 |
Zn9_9—O5_9—C9_9—C10_9 | −29.9 | Zn10_10—O5_10—C9_10—C10_10 | 28.3 |
C1_9—O1_9—C10_9—C9_9 | −178.9 | C1_10—O1_10—C10_10—C9_10 | 178.1 |
Zn9_9—O1_9—C10_9—C9_9 | −48.1 | Zn10_10—O1_10—C10_10—C9_10 | 47.4 |
O5_9—C9_9—C10_9—O1_9 | 48.6 | O5_10—C9_10—C10_10—O1_10 | −47.3 |
O7_4—Zn4_4—O1_4—C10_4 | 63.0 (5) | O6_8—Zn8_8—O1_8—C1_8 | −116.6 (5) |
O6_4—Zn4_4—O1_4—C10_4 | −114.4 (4) | O7_8—Zn8_8—O1_8—C1_8 | 64.9 (5) |
O5_4—Zn4_4—O1_4—C10_4 | −24.8 (4) | O5_8—Zn8_8—O1_8—C1_8 | 153.8 (5) |
O2_4—Zn4_4—O1_4—C10_4 | 146.7 (5) | O2_8—Zn8_8—O1_8—C1_8 | −18.5 (4) |
O3_4—Zn4_4—O1_4—C10_4 | 165.4 (4) | O3_8—Zn8_8—O1_8—C1_8 | −38.2 (6) |
O4_4—Zn4_4—O1_4—C10_4 | −24.9 (6) | O4_8—Zn8_8—O1_8—C1_8 | 154.6 (5) |
O7_4—Zn4_4—O1_4—C1_4 | −67.2 (5) | O6_8—Zn8_8—O1_8—C10_8 | 115.0 (5) |
O6_4—Zn4_4—O1_4—C1_4 | 115.4 (5) | O7_8—Zn8_8—O1_8—C10_8 | −63.5 (5) |
O5_4—Zn4_4—O1_4—C1_4 | −154.9 (5) | O5_8—Zn8_8—O1_8—C10_8 | 25.4 (4) |
O2_4—Zn4_4—O1_4—C1_4 | 16.6 (4) | O2_8—Zn8_8—O1_8—C10_8 | −146.9 (5) |
O3_4—Zn4_4—O1_4—C1_4 | 35.3 (6) | O3_8—Zn8_8—O1_8—C10_8 | −166.7 (5) |
O4_4—Zn4_4—O1_4—C1_4 | −155.0 (5) | O4_8—Zn8_8—O1_8—C10_8 | 26.2 (6) |
O7_4—Zn4_4—O2_4—C2_4 | 109.8 (5) | O6_8—Zn8_8—O2_8—C2_8 | 71.0 (5) |
O6_4—Zn4_4—O2_4—C2_4 | −70.6 (5) | O7_8—Zn8_8—O2_8—C2_8 | −107.8 (5) |
O5_4—Zn4_4—O2_4—C2_4 | 29.6 (7) | O5_8—Zn8_8—O2_8—C2_8 | −26.6 (7) |
O3_4—Zn4_4—O2_4—C2_4 | −152.6 (5) | O3_8—Zn8_8—O2_8—C2_8 | 153.5 (5) |
O1_4—Zn4_4—O2_4—C2_4 | 16.0 (5) | O4_8—Zn8_8—O2_8—C2_8 | 173.1 (5) |
O4_4—Zn4_4—O2_4—C2_4 | −172.5 (5) | O1_8—Zn8_8—O2_8—C2_8 | −14.2 (5) |
O7_4—Zn4_4—O2_4—C3_4 | −115.2 (5) | O6_8—Zn8_8—O2_8—C3_8 | −66.6 (5) |
O6_4—Zn4_4—O2_4—C3_4 | 64.5 (4) | O7_8—Zn8_8—O2_8—C3_8 | 114.7 (5) |
O5_4—Zn4_4—O2_4—C3_4 | 164.7 (4) | O5_8—Zn8_8—O2_8—C3_8 | −164.2 (5) |
O3_4—Zn4_4—O2_4—C3_4 | −17.5 (4) | O3_8—Zn8_8—O2_8—C3_8 | 15.9 (5) |
O1_4—Zn4_4—O2_4—C3_4 | 151.0 (5) | O4_8—Zn8_8—O2_8—C3_8 | 35.6 (6) |
O4_4—Zn4_4—O2_4—C3_4 | −37.5 (6) | O1_8—Zn8_8—O2_8—C3_8 | −151.7 (5) |
O7_4—Zn4_4—O3_4—C4_4 | 66.6 (5) | O6_8—Zn8_8—O3_8—C4_8 | 115.8 (5) |
O6_4—Zn4_4—O3_4—C4_4 | −116.2 (5) | O7_8—Zn8_8—O3_8—C4_8 | −65.0 (5) |
O5_4—Zn4_4—O3_4—C4_4 | 161.8 (4) | O5_8—Zn8_8—O3_8—C4_8 | −163.1 (5) |
O2_4—Zn4_4—O3_4—C4_4 | −16.0 (4) | O2_8—Zn8_8—O3_8—C4_8 | 16.8 (4) |
O1_4—Zn4_4—O3_4—C4_4 | −34.7 (6) | O4_8—Zn8_8—O3_8—C4_8 | −151.5 (5) |
O4_4—Zn4_4—O3_4—C4_4 | 151.7 (5) | O1_8—Zn8_8—O3_8—C4_8 | 36.6 (6) |
O7_4—Zn4_4—O3_4—C5_4 | −67.5 (6) | O6_8—Zn8_8—O3_8—C5_8 | −112.5 (6) |
O6_4—Zn4_4—O3_4—C5_4 | 109.7 (5) | O7_8—Zn8_8—O3_8—C5_8 | 66.7 (6) |
O5_4—Zn4_4—O3_4—C5_4 | 27.6 (7) | O5_8—Zn8_8—O3_8—C5_8 | −31.3 (7) |
O2_4—Zn4_4—O3_4—C5_4 | −150.1 (6) | O2_8—Zn8_8—O3_8—C5_8 | 148.5 (6) |
O1_4—Zn4_4—O3_4—C5_4 | −168.8 (5) | O4_8—Zn8_8—O3_8—C5_8 | −19.8 (5) |
O4_4—Zn4_4—O3_4—C5_4 | 17.6 (5) | O1_8—Zn8_8—O3_8—C5_8 | 168.3 (5) |
O7_4—Zn4_4—O4_4—C7_4 | −117.1 (5) | O6_8—Zn8_8—O4_8—C7_8 | −58.6 (5) |
O6_4—Zn4_4—O4_4—C7_4 | 61.5 (5) | O7_8—Zn8_8—O4_8—C7_8 | 119.7 (5) |
O5_4—Zn4_4—O4_4—C7_4 | −27.7 (5) | O5_8—Zn8_8—O4_8—C7_8 | 29.7 (5) |
O2_4—Zn4_4—O4_4—C7_4 | 166.0 (5) | O2_8—Zn8_8—O4_8—C7_8 | −162.5 (5) |
O3_4—Zn4_4—O4_4—C7_4 | 146.0 (5) | O3_8—Zn8_8—O4_8—C7_8 | −143.0 (5) |
O1_4—Zn4_4—O4_4—C7_4 | −27.6 (7) | O1_8—Zn8_8—O4_8—C7_8 | 29.0 (6) |
O7_4—Zn4_4—O4_4—C6_4 | 110.8 (6) | O6_8—Zn8_8—O4_8—C6_8 | 70.8 (5) |
O6_4—Zn4_4—O4_4—C6_4 | −70.6 (6) | O7_8—Zn8_8—O4_8—C6_8 | −110.9 (5) |
O5_4—Zn4_4—O4_4—C6_4 | −159.8 (6) | O5_8—Zn8_8—O4_8—C6_8 | 159.1 (6) |
O2_4—Zn4_4—O4_4—C6_4 | 33.9 (7) | O2_8—Zn8_8—O4_8—C6_8 | −33.2 (7) |
O3_4—Zn4_4—O4_4—C6_4 | 13.9 (5) | O3_8—Zn8_8—O4_8—C6_8 | −13.7 (5) |
O1_4—Zn4_4—O4_4—C6_4 | −159.7 (5) | O1_8—Zn8_8—O4_8—C6_8 | 158.3 (5) |
O7_4—Zn4_4—O5_4—C9_4 | −97.2 (5) | O6_8—Zn8_8—O5_8—C8_8 | 87.8 (6) |
O6_4—Zn4_4—O5_4—C9_4 | 84.8 (5) | O7_8—Zn8_8—O5_8—C8_8 | −92.5 (6) |
O2_4—Zn4_4—O5_4—C9_4 | −18.3 (7) | O2_8—Zn8_8—O5_8—C8_8 | −171.9 (6) |
O3_4—Zn4_4—O5_4—C9_4 | 165.3 (5) | O3_8—Zn8_8—O5_8—C8_8 | 7.9 (7) |
O1_4—Zn4_4—O5_4—C9_4 | −4.5 (5) | O4_8—Zn8_8—O5_8—C8_8 | −3.9 (6) |
O4_4—Zn4_4—O5_4—C9_4 | 175.4 (5) | O1_8—Zn8_8—O5_8—C8_8 | 175.6 (6) |
O7_4—Zn4_4—O5_4—C8_4 | 91.2 (6) | O6_8—Zn8_8—O5_8—C9_8 | −84.2 (5) |
O6_4—Zn4_4—O5_4—C8_4 | −86.9 (6) | O7_8—Zn8_8—O5_8—C9_8 | 95.5 (5) |
O2_4—Zn4_4—O5_4—C8_4 | 170.1 (5) | O2_8—Zn8_8—O5_8—C9_8 | 16.1 (7) |
O3_4—Zn4_4—O5_4—C8_4 | −6.3 (7) | O3_8—Zn8_8—O5_8—C9_8 | −164.1 (5) |
O1_4—Zn4_4—O5_4—C8_4 | −176.2 (6) | O4_8—Zn8_8—O5_8—C9_8 | −175.9 (5) |
O4_4—Zn4_4—O5_4—C8_4 | 3.8 (5) | O1_8—Zn8_8—O5_8—C9_8 | 3.6 (5) |
C10_4—O1_4—C1_4—C2_4 | −173.5 (6) | C10_8—O1_8—C1_8—C2_8 | 171.6 (6) |
Zn4_4—O1_4—C1_4—C2_4 | −43.9 (7) | Zn8_8—O1_8—C1_8—C2_8 | 45.6 (7) |
C3_4—O2_4—C2_4—C1_4 | −178.4 (6) | C3_8—O2_8—C2_8—C1_8 | 179.6 (7) |
Zn4_4—O2_4—C2_4—C1_4 | −43.8 (8) | Zn8_8—O2_8—C2_8—C1_8 | 42.0 (8) |
O1_4—C1_4—C2_4—O2_4 | 55.8 (8) | O1_8—C1_8—C2_8—O2_8 | −56.5 (8) |
C2_4—O2_4—C3_4—C4_4 | −179.1 (7) | C2_8—O2_8—C3_8—C4_8 | 178.8 (7) |
Zn4_4—O2_4—C3_4—C4_4 | 45.6 (7) | Zn8_8—O2_8—C3_8—C4_8 | −43.2 (7) |
C5_4—O3_4—C4_4—C3_4 | 178.1 (6) | C5_8—O3_8—C4_8—C3_8 | −174.2 (6) |
Zn4_4—O3_4—C4_4—C3_4 | 44.2 (7) | Zn8_8—O3_8—C4_8—C3_8 | −43.9 (7) |
O2_4—C3_4—C4_4—O3_4 | −57.4 (8) | O2_8—C3_8—C4_8—O3_8 | 55.1 (8) |
C4_4—O3_4—C5_4—C6_4 | −178.0 (6) | C4_8—O3_8—C5_8—C6_8 | −179.0 (6) |
Zn4_4—O3_4—C5_4—C6_4 | −44.3 (8) | Zn8_8—O3_8—C5_8—C6_8 | 49.4 (7) |
C7_4—O4_4—C6_4—C5_4 | −172.0 (7) | C7_8—O4_8—C6_8—C5_8 | 170.9 (7) |
Zn4_4—O4_4—C6_4—C5_4 | −41.8 (8) | Zn8_8—O4_8—C6_8—C5_8 | 43.5 (8) |
O3_4—C5_4—C6_4—O4_4 | 55.8 (9) | O3_8—C5_8—C6_8—O4_8 | −61.1 (8) |
C6_4—O4_4—C7_4—C8_4 | 177.1 (7) | C6_8—O4_8—C7_8—C8_8 | −176.9 (6) |
Zn4_4—O4_4—C7_4—C8_4 | 46.6 (8) | Zn8_8—O4_8—C7_8—C8_8 | −49.9 (7) |
C9_4—O5_4—C8_4—C7_4 | −153.0 (7) | C9_8—O5_8—C8_8—C7_8 | 152.2 (7) |
Zn4_4—O5_4—C8_4—C7_4 | 18.9 (9) | Zn8_8—O5_8—C8_8—C7_8 | −20.1 (9) |
O4_4—C7_4—C8_4—O5_4 | −41.7 (9) | O4_8—C7_8—C8_8—O5_8 | 44.1 (9) |
C8_4—O5_4—C9_4—C10_4 | −157.2 (6) | C8_8—O5_8—C9_8—C10_8 | 157.5 (6) |
Zn4_4—O5_4—C9_4—C10_4 | 30.8 (7) | Zn8_8—O5_8—C9_8—C10_8 | −30.0 (7) |
C1_4—O1_4—C10_4—C9_4 | 177.8 (6) | C1_8—O1_8—C10_8—C9_8 | −175.7 (6) |
Zn4_4—O1_4—C10_4—C9_4 | 47.8 (6) | Zn8_8—O1_8—C10_8—C9_8 | −48.8 (6) |
O5_4—C9_4—C10_4—O1_4 | −49.0 (7) | O5_8—C9_8—C10_8—O1_8 | 50.5 (7) |
D—H···A | D—H | H···A | D···A | D—H···A |
O6_1—H1W_1···O9_11 | 0.82 (1) | 2.50 (6) | 2.972 (8) | 118 (6) |
O6_1—H1W_1···O8_11 | 0.82 (1) | 2.13 (2) | 2.944 (9) | 169 (6) |
O6_1—H2W_1···O9_21i | 0.82 (1) | 1.88 (2) | 2.675 (7) | 164 (7) |
O6_1—H2W_1···O10_21i | 0.82 (1) | 2.71 (4) | 3.380 (9) | 140 (5) |
O7_1—H3W_1···O9_14ii | 0.82 (1) | 2.02 (2) | 2.820 (8) | 165 (6) |
O7_1—H3W_1···O10_14ii | 0.82 (1) | 2.63 (6) | 3.120 (9) | 120 (5) |
O7_1—H4W_1···O8_19 | 0.82 (1) | 2.08 (4) | 2.744 (8) | 138 (6) |
O6_2—H1W_2···O9_13ii | 0.82 (1) | 2.08 (2) | 2.885 (8) | 167 (7) |
O6_2—H1W_2···O10_13ii | 0.82 (1) | 2.59 (4) | 3.255 (9) | 139 (6) |
O6_2—H2W_2···O8_20 | 0.82 (1) | 2.55 (6) | 2.970 (9) | 113 (5) |
O6_2—H2W_2···O9_20 | 0.82 (1) | 2.31 (3) | 3.072 (8) | 154 (6) |
O7_2—H3W_2···O9_20i | 0.81 (1) | 1.95 (2) | 2.741 (8) | 163 (7) |
O7_2—H4W_2···O8_12 | 0.81 (1) | 1.95 (2) | 2.741 (8) | 167 (7) |
O7_2—H4W_2···O9_12 | 0.81 (1) | 2.78 (7) | 3.240 (8) | 118 (6) |
O6_3—H1W_3···O9_19i | 0.82 (1) | 1.93 (1) | 2.744 (8) | 176 (7) |
O6_3—H2W_3···O8_13 | 0.81 (1) | 2.02 (1) | 2.824 (9) | 172 (6) |
O6_3—H2W_3···O9_13 | 0.81 (1) | 2.50 (5) | 3.064 (7) | 127 (6) |
O7_3—H3W_3···O9_12ii | 0.82 (1) | 2.03 (4) | 2.756 (8) | 149 (6) |
O7_3—H3W_3···O10_12ii | 0.82 (1) | 2.55 (3) | 3.299 (9) | 152 (5) |
O7_3—H4W_3···O8_21 | 0.82 (1) | 2.05 (4) | 2.769 (7) | 147 (6) |
O6_4—H1W_4···O9_26iii | 0.82 (1) | 1.97 (4) | 2.678 (8) | 143 (6) |
O6_4—H1W_4···O10_26iii | 0.82 (1) | 2.70 (5) | 3.335 (8) | 135 (5) |
O6_4—H2W_4···O8_14 | 0.82 (1) | 2.07 (2) | 2.889 (8) | 174 (6) |
O6_4—H2W_4···O9_14 | 0.82 (1) | 2.44 (6) | 2.962 (8) | 123 (6) |
O7_4—H3W_4···O9_11ii | 0.82 (1) | 2.06 (2) | 2.860 (9) | 168 (7) |
O7_4—H3W_4···O10_11ii | 0.82 (1) | 2.60 (5) | 3.202 (9) | 132 (6) |
O7_4—H4W_4···O8_22 | 0.81 (1) | 1.98 (2) | 2.780 (8) | 169 (7) |
O6_5—H1W_5···O8_23 | 0.81 (1) | 2.47 (6) | 2.938 (9) | 118 (5) |
O6_5—H1W_5···O9_23 | 0.81 (1) | 2.38 (3) | 3.110 (8) | 149 (6) |
O6_5—H2W_5···O9_18iv | 0.82 (1) | 2.04 (2) | 2.821 (8) | 160 (6) |
O7_5—H3W_5···O9_25iii | 0.82 (1) | 2.03 (3) | 2.774 (8) | 151 (6) |
O7_5—H3W_5···O10_25iii | 0.82 (1) | 2.53 (5) | 3.169 (9) | 136 (6) |
O7_5—H4W_5···O8_15 | 0.82 (1) | 2.02 (4) | 2.749 (8) | 148 (6) |
O7_5—H4W_5···O9_15 | 0.82 (1) | 2.94 (7) | 3.222 (8) | 102 (5) |
O6_6—H1W_6···O8_16 | 0.82 (1) | 2.08 (2) | 2.896 (9) | 175 (7) |
O6_6—H1W_6···O9_16 | 0.82 (1) | 2.47 (6) | 3.004 (8) | 123 (6) |
O6_6—H2W_6···O9_24iii | 0.82 (1) | 1.99 (4) | 2.703 (8) | 146 (6) |
O6_6—H2W_6···O10_24iii | 0.82 (1) | 2.69 (4) | 3.389 (9) | 145 (6) |
O7_6—H3W_6···O8_24 | 0.82 (1) | 1.97 (3) | 2.727 (8) | 154 (6) |
O7_6—H4W_6···O9_17iv | 0.82 (1) | 1.95 (1) | 2.759 (8) | 172 (6) |
O7_6—H4W_6···O10_17iv | 0.82 (1) | 2.63 (5) | 3.227 (9) | 131 (6) |
O6_7—H1W_7···O9_16iv | 0.82 (1) | 2.09 (2) | 2.886 (8) | 165 (6) |
O6_7—H1W_7···O10_16iv | 0.82 (1) | 2.77 (6) | 3.220 (8) | 117 (5) |
O6_7—H2W_7···O8_25 | 0.82 (1) | 2.39 (5) | 2.953 (8) | 126 (5) |
O6_7—H2W_7···O9_25 | 0.82 (1) | 2.27 (2) | 3.081 (8) | 170 (6) |
O7_7—H3W_7···O9_23iii | 0.82 (1) | 1.91 (2) | 2.698 (8) | 161 (6) |
O7_7—H3W_7···O10_23iii | 0.82 (1) | 2.55 (4) | 3.208 (8) | 138 (6) |
O7_7—H4W_7···O8_17 | 0.81 (1) | 1.96 (2) | 2.753 (7) | 165 (7) |
O7_7—H4W_7···O9_17 | 0.81 (1) | 2.71 (7) | 3.142 (8) | 115 (6) |
O6_8—H1W_8···O9_15iv | 0.82 (1) | 2.03 (3) | 2.810 (8) | 158 (7) |
O6_8—H2W_8···O8_26 | 0.82 (1) | 2.27 (5) | 2.838 (9) | 127 (5) |
O6_8—H2W_8···O9_26 | 0.82 (1) | 2.42 (2) | 3.219 (8) | 165 (5) |
O7_8—H3W_8···O9_22iii | 0.82 (1) | 1.93 (2) | 2.740 (8) | 166 (7) |
O7_8—H4W_8···O8_18 | 0.82 (1) | 1.94 (2) | 2.736 (8) | 163 (6) |
O7_8—H4W_8···O9_18 | 0.82 (1) | 2.70 (6) | 3.197 (8) | 121 (6) |
Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) −x+1/2, y−1/2, −z+1/2; (iii) −x+1/2, y+1/2, −z+3/2; (iv) −x+1/2, y−1/2, −z+3/2. |
C10H24O7Ni2+·2(NO3−) | Z = 8 |
Mr = 439.02 | F(000) = 1840 |
Triclinic, C1 | Dx = 1.632 Mg m−3 |
a = 14.719 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 28.041 (3) Å | Cell parameters from 8005 reflections |
c = 10.704 (2) Å | θ = 1.0–27.5° |
α = 90.20 (1)° | µ = 1.16 mm−1 |
β = 125.99 (2)° | T = 308 K |
γ = 89.870 (1)° | Block, yellow |
V = 3574.6 (13) Å3 | 0.35 × 0.15 × 0.15 mm |
Nonius KappaCCD diffractometer | 6301 independent reflections |
Radiation source: fine-focus sealed tube | 4268 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.037 |
Detector resolution: 18 pixels mm-1 | θmax = 25.0°, θmin = 1.5° |
ω scans at fixed χ = 55° | h = −17→17 |
Absorption correction: multi-scan Scalepack (Otwinowski & Minor, 2006) | k = −33→32 |
Tmin = 0.688, Tmax = 0.846 | l = −12→12 |
12132 measured reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.125 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | w = 1/[σ2(Fo2) + (0.064P)2] where P = (Fo2 + 2Fc2)/3 |
6301 reflections | (Δ/σ)max = 0.001 |
494 parameters | Δρmax = 0.65 e Å−3 |
12 restraints | Δρmin = −0.52 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Ni1 | 0.49828 (6) | 0.25131 (2) | 0.48782 (9) | 0.0584 (2) | |
O11 | 0.6839 (3) | 0.26580 (11) | 0.6135 (4) | 0.0557 (9) | |
O21 | 0.5156 (3) | 0.30292 (12) | 0.3475 (4) | 0.0589 (9) | |
O31 | 0.3322 (3) | 0.25605 (12) | 0.2585 (4) | 0.0583 (10) | |
O41 | 0.3684 (3) | 0.21433 (12) | 0.5090 (4) | 0.0657 (10) | |
O51 | 0.5824 (3) | 0.21807 (11) | 0.7059 (4) | 0.0571 (9) | |
O61 | 0.4784 (4) | 0.30893 (14) | 0.5754 (4) | 0.0698 (11) | |
H1W | 0.488 (5) | 0.306 (2) | 0.658 (4) | 0.105* | |
H2W | 0.437 (4) | 0.3318 (14) | 0.534 (5) | 0.105* | |
O71 | 0.5197 (4) | 0.19265 (15) | 0.4059 (4) | 0.0706 (11) | |
H3W | 0.577 (3) | 0.1772 (19) | 0.455 (5) | 0.106* | |
H4W | 0.497 (5) | 0.192 (2) | 0.316 (2) | 0.106* | |
C11 | 0.7025 (5) | 0.3092 (2) | 0.5604 (7) | 0.0732 (17) | |
H11A | 0.7802 | 0.3113 | 0.5963 | 0.088* | |
H11B | 0.6857 | 0.3367 | 0.5988 | 0.088* | |
C21 | 0.6266 (4) | 0.3077 (2) | 0.3894 (6) | 0.0733 (17) | |
H21A | 0.6333 | 0.3368 | 0.3465 | 0.088* | |
H21B | 0.6451 | 0.2808 | 0.3508 | 0.088* | |
C31 | 0.4311 (5) | 0.29993 (19) | 0.1863 (6) | 0.0625 (15) | |
H31A | 0.4422 | 0.2720 | 0.1432 | 0.075* | |
H31B | 0.4320 | 0.3280 | 0.1345 | 0.075* | |
C41 | 0.3217 (4) | 0.29655 (17) | 0.1680 (6) | 0.0624 (15) | |
H41A | 0.3084 | 0.3254 | 0.2051 | 0.075* | |
H41B | 0.2597 | 0.2920 | 0.0603 | 0.075* | |
C51 | 0.2391 (4) | 0.2491 (2) | 0.2653 (7) | 0.0725 (17) | |
H51A | 0.1706 | 0.2443 | 0.1626 | 0.087* | |
H51B | 0.2295 | 0.2765 | 0.3119 | 0.087* | |
C61 | 0.2667 (4) | 0.2054 (2) | 0.3626 (7) | 0.0785 (18) | |
H61A | 0.2070 | 0.1988 | 0.3733 | 0.094* | |
H61B | 0.2751 | 0.1780 | 0.3146 | 0.094* | |
C71 | 0.4174 (5) | 0.1743 (2) | 0.6072 (6) | 0.0710 (16) | |
H71A | 0.4303 | 0.1492 | 0.5568 | 0.085* | |
H71B | 0.3678 | 0.1621 | 0.6313 | 0.085* | |
C81 | 0.5250 (5) | 0.1897 (2) | 0.7500 (7) | 0.0707 (17) | |
H81A | 0.5113 | 0.2081 | 0.8142 | 0.085* | |
H81B | 0.5700 | 0.1621 | 0.8082 | 0.085* | |
C91 | 0.7020 (4) | 0.21866 (19) | 0.8067 (6) | 0.0588 (15) | |
H91A | 0.7322 | 0.1914 | 0.7863 | 0.071* | |
H91B | 0.7278 | 0.2173 | 0.9134 | 0.071* | |
C101 | 0.7394 (4) | 0.2637 (2) | 0.7777 (6) | 0.0647 (15) | |
H10A | 0.7187 | 0.2909 | 0.8122 | 0.078* | |
H10B | 0.8203 | 0.2637 | 0.8321 | 0.078* | |
Ni2 | 0.25705 (5) | 0.49861 (2) | 0.01893 (8) | 0.0584 (2) | |
O12 | 0.0685 (3) | 0.51374 (11) | −0.1114 (4) | 0.0570 (9) | |
O22 | 0.2388 (3) | 0.55026 (12) | 0.1535 (4) | 0.0596 (9) | |
O32 | 0.4208 (3) | 0.50221 (12) | 0.2443 (4) | 0.0597 (9) | |
O42 | 0.3811 (3) | 0.46003 (14) | −0.0066 (4) | 0.0737 (11) | |
O52 | 0.1691 (3) | 0.46619 (11) | −0.2023 (3) | 0.0574 (9) | |
O62 | 0.2798 (4) | 0.55553 (14) | −0.0696 (4) | 0.0767 (12) | |
H5W | 0.257 (6) | 0.5589 (19) | −0.159 (3) | 0.115* | |
H6W | 0.302 (5) | 0.5816 (10) | −0.029 (5) | 0.115* | |
O72 | 0.2323 (4) | 0.44073 (13) | 0.1041 (4) | 0.0735 (12) | |
H7W | 0.212 (5) | 0.4153 (10) | 0.059 (5) | 0.110* | |
H8W | 0.267 (5) | 0.4344 (18) | 0.1959 (17) | 0.110* | |
C12 | 0.0519 (5) | 0.5566 (2) | −0.0566 (7) | 0.0780 (18) | |
H12A | −0.0254 | 0.5587 | −0.0908 | 0.094* | |
H12B | 0.0677 | 0.5839 | −0.0962 | 0.094* | |
C22 | 0.1292 (5) | 0.5561 (2) | 0.1150 (7) | 0.0764 (17) | |
H22A | 0.1238 | 0.5857 | 0.1571 | 0.092* | |
H22B | 0.1110 | 0.5299 | 0.1557 | 0.092* | |
C32 | 0.3263 (5) | 0.54859 (18) | 0.3154 (6) | 0.0674 (16) | |
H32A | 0.3153 | 0.5218 | 0.3623 | 0.081* | |
H32B | 0.3272 | 0.5777 | 0.3653 | 0.081* | |
C42 | 0.4342 (4) | 0.54307 (19) | 0.3317 (6) | 0.0652 (15) | |
H42A | 0.4484 | 0.5710 | 0.2925 | 0.078* | |
H42B | 0.4966 | 0.5388 | 0.4393 | 0.078* | |
C52 | 0.5122 (4) | 0.4933 (2) | 0.2361 (7) | 0.0849 (19) | |
H52A | 0.5804 | 0.4881 | 0.3387 | 0.102* | |
H52B | 0.5238 | 0.5205 | 0.1911 | 0.102* | |
C62 | 0.4848 (5) | 0.4507 (2) | 0.1397 (7) | 0.091 (2) | |
H62A | 0.5437 | 0.4444 | 0.1269 | 0.109* | |
H62B | 0.4774 | 0.4232 | 0.1876 | 0.109* | |
C72 | 0.3319 (5) | 0.4213 (2) | −0.1063 (6) | 0.0793 (18) | |
H72A | 0.3195 | 0.3957 | −0.0573 | 0.095* | |
H72B | 0.3809 | 0.4097 | −0.1324 | 0.095* | |
C82 | 0.2241 (5) | 0.4369 (2) | −0.2469 (6) | 0.0721 (17) | |
H82A | 0.2370 | 0.4546 | −0.3129 | 0.087* | |
H82B | 0.1780 | 0.4094 | −0.3040 | 0.087* | |
C92 | 0.0507 (4) | 0.4673 (2) | −0.3052 (6) | 0.0613 (15) | |
H92A | 0.0186 | 0.4403 | −0.2877 | 0.074* | |
H92B | 0.0265 | 0.4663 | −0.4113 | 0.074* | |
C102 | 0.0149 (4) | 0.5131 (2) | −0.2736 (5) | 0.0643 (15) | |
H10C | 0.0384 | 0.5403 | −0.3042 | 0.077* | |
H10D | −0.0661 | 0.5141 | −0.3296 | 0.077* | |
N1 | 0.4414 (4) | 0.15748 (17) | 0.0515 (5) | 0.0576 (12) | |
O81 | 0.4208 (4) | 0.14550 (19) | −0.0716 (6) | 0.1116 (17) | |
O91 | 0.4957 (4) | 0.19238 (17) | 0.1203 (6) | 0.1068 (16) | |
O101 | 0.3997 (4) | 0.13459 (19) | 0.1032 (5) | 0.1096 (18) | |
N2 | 0.1847 (4) | 0.59002 (16) | −0.4326 (5) | 0.0560 (12) | |
O82 | 0.1844 (4) | 0.60085 (17) | −0.5438 (5) | 0.1033 (16) | |
O92 | 0.2302 (4) | 0.55347 (15) | −0.3578 (5) | 0.0836 (13) | |
O102 | 0.1353 (4) | 0.61626 (16) | −0.3972 (5) | 0.0985 (16) | |
N3 | 0.5696 (4) | 0.34019 (17) | 0.9388 (5) | 0.0574 (12) | |
O83 | 0.5699 (4) | 0.35481 (17) | 1.0454 (5) | 0.0944 (15) | |
O93 | 0.5191 (4) | 0.30413 (16) | 0.8645 (5) | 0.0912 (14) | |
O103 | 0.6272 (4) | 0.36121 (14) | 0.9051 (5) | 0.0785 (12) | |
N4 | 0.3108 (4) | 0.40757 (16) | 0.4609 (5) | 0.0599 (12) | |
O84 | 0.3343 (4) | 0.39149 (17) | 0.5839 (5) | 0.0916 (14) | |
O94 | 0.2506 (4) | 0.44183 (16) | 0.3977 (6) | 0.1097 (17) | |
O104 | 0.3536 (4) | 0.38848 (16) | 0.4020 (4) | 0.0890 (14) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.0720 (6) | 0.0469 (4) | 0.0499 (5) | 0.0159 (4) | 0.0323 (4) | 0.0020 (3) |
O11 | 0.057 (2) | 0.056 (2) | 0.054 (2) | −0.0010 (17) | 0.0319 (19) | 0.0041 (17) |
O21 | 0.050 (2) | 0.068 (2) | 0.055 (2) | 0.0079 (17) | 0.0286 (19) | 0.0082 (17) |
O31 | 0.053 (2) | 0.056 (2) | 0.063 (2) | 0.0078 (17) | 0.032 (2) | 0.0064 (17) |
O41 | 0.059 (2) | 0.060 (2) | 0.070 (2) | −0.0031 (18) | 0.033 (2) | 0.0037 (18) |
O51 | 0.052 (2) | 0.061 (2) | 0.053 (2) | 0.0019 (17) | 0.0275 (19) | 0.0127 (16) |
O61 | 0.094 (3) | 0.059 (2) | 0.056 (2) | 0.026 (2) | 0.044 (2) | 0.0034 (18) |
O71 | 0.086 (3) | 0.059 (2) | 0.054 (2) | 0.031 (2) | 0.034 (2) | 0.0012 (19) |
C11 | 0.058 (4) | 0.077 (4) | 0.079 (4) | −0.002 (3) | 0.037 (3) | 0.016 (3) |
C21 | 0.065 (4) | 0.081 (4) | 0.080 (4) | 0.001 (3) | 0.046 (4) | 0.023 (3) |
C31 | 0.076 (4) | 0.060 (3) | 0.052 (3) | 0.013 (3) | 0.039 (3) | 0.018 (2) |
C41 | 0.064 (4) | 0.058 (3) | 0.043 (3) | 0.015 (3) | 0.018 (3) | 0.008 (2) |
C51 | 0.046 (4) | 0.088 (4) | 0.061 (4) | 0.002 (3) | 0.019 (3) | 0.002 (3) |
C61 | 0.049 (4) | 0.093 (5) | 0.076 (4) | −0.014 (3) | 0.027 (3) | 0.002 (3) |
C71 | 0.071 (4) | 0.066 (4) | 0.077 (4) | −0.007 (3) | 0.044 (4) | 0.006 (3) |
C81 | 0.080 (4) | 0.066 (4) | 0.073 (4) | 0.005 (3) | 0.049 (4) | 0.020 (3) |
C91 | 0.045 (3) | 0.072 (4) | 0.042 (3) | 0.011 (3) | 0.016 (3) | 0.002 (3) |
C101 | 0.049 (3) | 0.083 (4) | 0.046 (3) | 0.000 (3) | 0.019 (3) | −0.002 (3) |
Ni2 | 0.0717 (5) | 0.0474 (4) | 0.0481 (4) | −0.0133 (4) | 0.0308 (4) | −0.0029 (3) |
O12 | 0.053 (2) | 0.060 (2) | 0.052 (2) | 0.0082 (17) | 0.0275 (18) | −0.0030 (16) |
O22 | 0.056 (2) | 0.061 (2) | 0.057 (2) | 0.0018 (18) | 0.031 (2) | −0.0030 (17) |
O32 | 0.052 (2) | 0.062 (2) | 0.056 (2) | −0.0079 (18) | 0.0266 (19) | −0.0143 (17) |
O42 | 0.055 (2) | 0.084 (3) | 0.065 (2) | 0.006 (2) | 0.025 (2) | −0.011 (2) |
O52 | 0.049 (2) | 0.065 (2) | 0.050 (2) | 0.0037 (17) | 0.0245 (18) | −0.0105 (16) |
O62 | 0.109 (3) | 0.061 (3) | 0.059 (3) | −0.030 (2) | 0.049 (3) | −0.0091 (19) |
O72 | 0.093 (3) | 0.054 (2) | 0.050 (2) | −0.024 (2) | 0.028 (2) | 0.0024 (18) |
C12 | 0.062 (4) | 0.071 (4) | 0.093 (5) | 0.019 (3) | 0.042 (4) | −0.005 (3) |
C22 | 0.072 (4) | 0.085 (4) | 0.082 (4) | 0.012 (3) | 0.051 (4) | −0.011 (3) |
C32 | 0.087 (4) | 0.051 (3) | 0.054 (3) | −0.007 (3) | 0.036 (3) | −0.010 (2) |
C42 | 0.060 (4) | 0.063 (3) | 0.053 (3) | −0.009 (3) | 0.023 (3) | 0.000 (3) |
C52 | 0.048 (4) | 0.115 (5) | 0.067 (4) | 0.005 (3) | 0.020 (3) | −0.014 (4) |
C62 | 0.060 (4) | 0.104 (5) | 0.078 (4) | 0.026 (4) | 0.025 (4) | −0.011 (4) |
C72 | 0.080 (4) | 0.077 (4) | 0.070 (4) | 0.021 (3) | 0.038 (4) | −0.012 (3) |
C82 | 0.080 (4) | 0.068 (4) | 0.066 (4) | 0.005 (3) | 0.042 (4) | −0.016 (3) |
C92 | 0.054 (3) | 0.069 (4) | 0.041 (3) | −0.003 (3) | 0.017 (3) | 0.001 (3) |
C102 | 0.047 (3) | 0.076 (4) | 0.049 (3) | 0.008 (3) | 0.016 (3) | 0.009 (3) |
N1 | 0.058 (3) | 0.051 (3) | 0.057 (3) | 0.008 (2) | 0.030 (3) | −0.002 (2) |
O81 | 0.126 (4) | 0.122 (4) | 0.087 (3) | 0.021 (3) | 0.063 (3) | −0.021 (3) |
O91 | 0.101 (4) | 0.066 (3) | 0.114 (4) | −0.034 (3) | 0.042 (3) | −0.020 (3) |
O101 | 0.088 (3) | 0.138 (4) | 0.085 (3) | −0.023 (3) | 0.041 (3) | 0.035 (3) |
N2 | 0.056 (3) | 0.050 (3) | 0.043 (2) | −0.009 (2) | 0.018 (2) | −0.004 (2) |
O82 | 0.131 (4) | 0.105 (4) | 0.089 (3) | −0.020 (3) | 0.073 (3) | 0.013 (3) |
O92 | 0.104 (3) | 0.064 (3) | 0.073 (3) | 0.033 (2) | 0.048 (3) | 0.015 (2) |
O102 | 0.126 (4) | 0.080 (3) | 0.082 (3) | 0.044 (3) | 0.057 (3) | 0.002 (2) |
N3 | 0.057 (3) | 0.054 (3) | 0.053 (3) | 0.008 (2) | 0.028 (3) | 0.008 (2) |
O83 | 0.110 (4) | 0.111 (4) | 0.087 (3) | 0.009 (3) | 0.072 (3) | −0.016 (3) |
O93 | 0.101 (3) | 0.066 (3) | 0.091 (3) | −0.030 (2) | 0.048 (3) | −0.014 (2) |
O103 | 0.099 (3) | 0.068 (3) | 0.076 (3) | −0.008 (2) | 0.055 (3) | −0.001 (2) |
N4 | 0.057 (3) | 0.044 (3) | 0.058 (3) | −0.004 (2) | 0.023 (3) | −0.007 (2) |
O84 | 0.111 (4) | 0.097 (3) | 0.079 (3) | 0.007 (3) | 0.062 (3) | 0.016 (2) |
O94 | 0.089 (3) | 0.076 (3) | 0.120 (4) | 0.037 (3) | 0.036 (3) | 0.021 (3) |
O104 | 0.104 (3) | 0.101 (3) | 0.063 (3) | 0.018 (3) | 0.050 (3) | −0.010 (2) |
Ni1—O61 | 1.971 (3) | Ni2—O12 | 2.297 (3) |
Ni1—O71 | 1.971 (4) | O12—C12 | 1.417 (6) |
Ni1—O51 | 2.112 (3) | O12—C102 | 1.424 (6) |
Ni1—O21 | 2.209 (3) | O22—C22 | 1.420 (6) |
Ni1—O31 | 2.229 (4) | O22—C32 | 1.429 (6) |
Ni1—O11 | 2.262 (3) | O32—C42 | 1.415 (6) |
Ni1—O41 | 2.303 (4) | O32—C52 | 1.419 (6) |
O11—C101 | 1.439 (6) | O42—C72 | 1.388 (6) |
O11—C11 | 1.440 (6) | O42—C62 | 1.429 (6) |
O21—C31 | 1.418 (6) | O52—C92 | 1.412 (6) |
O21—C21 | 1.424 (6) | O52—C82 | 1.418 (6) |
O31—C51 | 1.427 (6) | O62—H5W | 0.814 (10) |
O31—C41 | 1.444 (5) | O62—H6W | 0.814 (10) |
O41—C71 | 1.414 (6) | O72—H7W | 0.814 (10) |
O41—C61 | 1.414 (6) | O72—H8W | 0.817 (10) |
O51—C91 | 1.425 (6) | C12—C22 | 1.487 (7) |
O51—C81 | 1.431 (6) | C12—H12A | 0.9700 |
O61—H1W | 0.821 (10) | C12—H12B | 0.9700 |
O61—H2W | 0.814 (10) | C22—H22A | 0.9700 |
O71—H3W | 0.809 (10) | C22—H22B | 0.9700 |
O71—H4W | 0.812 (10) | C32—C42 | 1.501 (7) |
C11—C21 | 1.482 (7) | C32—H32A | 0.9700 |
C11—H11A | 0.9700 | C32—H32B | 0.9700 |
C11—H11B | 0.9700 | C42—H42A | 0.9700 |
C21—H21A | 0.9700 | C42—H42B | 0.9700 |
C21—H21B | 0.9700 | C52—C62 | 1.469 (8) |
C31—C41 | 1.506 (7) | C52—H52A | 0.9700 |
C31—H31A | 0.9700 | C52—H52B | 0.9700 |
C31—H31B | 0.9700 | C62—H62A | 0.9700 |
C41—H41A | 0.9700 | C62—H62B | 0.9700 |
C41—H41B | 0.9700 | C72—C82 | 1.472 (7) |
C51—C61 | 1.504 (7) | C72—H72A | 0.9700 |
C51—H51A | 0.9700 | C72—H72B | 0.9700 |
C51—H51B | 0.9700 | C82—H82A | 0.9700 |
C61—H61A | 0.9700 | C82—H82B | 0.9700 |
C61—H61B | 0.9700 | C92—C102 | 1.499 (7) |
C71—C81 | 1.478 (7) | C92—H92A | 0.9700 |
C71—H71A | 0.9700 | C92—H92B | 0.9700 |
C71—H71B | 0.9700 | C102—H10C | 0.9700 |
C81—H81A | 0.9700 | C102—H10D | 0.9700 |
C81—H81B | 0.9700 | N1—O91 | 1.203 (6) |
C91—C101 | 1.485 (7) | N1—O81 | 1.213 (6) |
C91—H91A | 0.9700 | N1—O101 | 1.223 (6) |
C91—H91B | 0.9700 | N2—O82 | 1.228 (5) |
C101—H10A | 0.9700 | N2—O92 | 1.230 (5) |
C101—H10B | 0.9700 | N2—O102 | 1.237 (6) |
Ni2—O62 | 1.986 (3) | N3—O83 | 1.209 (6) |
Ni2—O72 | 2.000 (4) | N3—O93 | 1.229 (6) |
Ni2—O52 | 2.121 (3) | N3—O103 | 1.249 (5) |
Ni2—O22 | 2.164 (3) | N4—O94 | 1.209 (6) |
Ni2—O32 | 2.192 (3) | N4—O84 | 1.235 (6) |
Ni2—O42 | 2.270 (4) | N4—O104 | 1.242 (6) |
O61—Ni1—O71 | 178.30 (14) | O62—Ni2—O32 | 96.00 (16) |
O61—Ni1—O51 | 89.54 (14) | O72—Ni2—O32 | 84.93 (15) |
O71—Ni1—O51 | 88.79 (14) | O52—Ni2—O32 | 143.40 (13) |
O61—Ni1—O21 | 83.92 (15) | O22—Ni2—O32 | 73.98 (13) |
O71—Ni1—O21 | 97.63 (16) | O62—Ni2—O42 | 87.24 (18) |
O51—Ni1—O21 | 144.69 (14) | O72—Ni2—O42 | 92.50 (18) |
O61—Ni1—O31 | 95.76 (15) | O52—Ni2—O42 | 70.73 (12) |
O71—Ni1—O31 | 85.39 (15) | O22—Ni2—O42 | 145.04 (14) |
O51—Ni1—O31 | 142.66 (13) | O32—Ni2—O42 | 73.24 (13) |
O21—Ni1—O31 | 72.63 (13) | O62—Ni2—O12 | 92.53 (17) |
O61—Ni1—O11 | 91.98 (16) | O72—Ni2—O12 | 87.02 (16) |
O71—Ni1—O11 | 87.82 (16) | O52—Ni2—O12 | 70.93 (12) |
O51—Ni1—O11 | 72.79 (12) | O22—Ni2—O12 | 72.74 (12) |
O21—Ni1—O11 | 72.81 (12) | O32—Ni2—O12 | 144.58 (12) |
O31—Ni1—O11 | 143.49 (13) | O42—Ni2—O12 | 141.65 (13) |
O61—Ni1—O41 | 87.66 (17) | C12—O12—C102 | 113.9 (4) |
O71—Ni1—O41 | 91.50 (16) | C12—O12—Ni2 | 110.2 (3) |
O51—Ni1—O41 | 70.84 (13) | C102—O12—Ni2 | 110.2 (3) |
O21—Ni1—O41 | 143.00 (14) | C22—O22—C32 | 114.6 (4) |
O31—Ni1—O41 | 72.48 (13) | C22—O22—Ni2 | 116.5 (3) |
O11—Ni1—O41 | 143.63 (13) | C32—O22—Ni2 | 114.1 (3) |
C101—O11—C11 | 114.6 (4) | C42—O32—C52 | 114.3 (4) |
C101—O11—Ni1 | 109.9 (3) | C42—O32—Ni2 | 113.5 (3) |
C11—O11—Ni1 | 111.2 (3) | C52—O32—Ni2 | 113.2 (3) |
C31—O21—C21 | 114.4 (4) | C72—O42—C62 | 116.0 (4) |
C31—O21—Ni1 | 114.9 (3) | C72—O42—Ni2 | 111.7 (3) |
C21—O21—Ni1 | 114.7 (3) | C62—O42—Ni2 | 111.8 (3) |
C51—O31—C41 | 114.6 (4) | C92—O52—C82 | 116.0 (4) |
C51—O31—Ni1 | 113.6 (3) | C92—O52—Ni2 | 121.7 (3) |
C41—O31—Ni1 | 113.7 (3) | C82—O52—Ni2 | 121.8 (3) |
C71—O41—C61 | 115.5 (4) | Ni2—O62—H5W | 126 (4) |
C71—O41—Ni1 | 110.0 (3) | Ni2—O62—H6W | 127 (4) |
C61—O41—Ni1 | 111.6 (3) | H5W—O62—H6W | 106.5 (18) |
C91—O51—C81 | 117.6 (4) | Ni2—O72—H7W | 122 (4) |
C91—O51—Ni1 | 119.5 (3) | Ni2—O72—H8W | 125 (4) |
C81—O51—Ni1 | 122.5 (3) | H7W—O72—H8W | 106.2 (17) |
Ni1—O61—H1W | 117 (4) | O12—C12—C22 | 107.9 (4) |
Ni1—O61—H2W | 131 (4) | O12—C12—H12A | 110.1 |
H1W—O61—H2W | 105.3 (17) | C22—C12—H12A | 110.1 |
Ni1—O71—H3W | 122 (4) | O12—C12—H12B | 110.1 |
Ni1—O71—H4W | 119 (4) | C22—C12—H12B | 110.1 |
H3W—O71—H4W | 107.3 (18) | H12A—C12—H12B | 108.4 |
O11—C11—C21 | 106.6 (5) | O22—C22—C12 | 105.9 (4) |
O11—C11—H11A | 110.4 | O22—C22—H22A | 110.6 |
C21—C11—H11A | 110.4 | C12—C22—H22A | 110.6 |
O11—C11—H11B | 110.4 | O22—C22—H22B | 110.6 |
C21—C11—H11B | 110.4 | C12—C22—H22B | 110.6 |
H11A—C11—H11B | 108.6 | H22A—C22—H22B | 108.7 |
O21—C21—C11 | 106.5 (4) | O22—C32—C42 | 106.4 (4) |
O21—C21—H21A | 110.4 | O22—C32—H32A | 110.4 |
C11—C21—H21A | 110.4 | C42—C32—H32A | 110.4 |
O21—C21—H21B | 110.4 | O22—C32—H32B | 110.4 |
C11—C21—H21B | 110.4 | C42—C32—H32B | 110.4 |
H21A—C21—H21B | 108.6 | H32A—C32—H32B | 108.6 |
O21—C31—C41 | 105.6 (4) | O32—C42—C32 | 106.2 (4) |
O21—C31—H31A | 110.6 | O32—C42—H42A | 110.5 |
C41—C31—H31A | 110.6 | C32—C42—H42A | 110.5 |
O21—C31—H31B | 110.6 | O32—C42—H42B | 110.5 |
C41—C31—H31B | 110.6 | C32—C42—H42B | 110.5 |
H31A—C31—H31B | 108.8 | H42A—C42—H42B | 108.7 |
O31—C41—C31 | 106.2 (4) | O32—C52—C62 | 107.8 (5) |
O31—C41—H41A | 110.5 | O32—C52—H52A | 110.2 |
C31—C41—H41A | 110.5 | C62—C52—H52A | 110.2 |
O31—C41—H41B | 110.5 | O32—C52—H52B | 110.2 |
C31—C41—H41B | 110.5 | C62—C52—H52B | 110.2 |
H41A—C41—H41B | 108.7 | H52A—C52—H52B | 108.5 |
O31—C51—C61 | 105.8 (4) | O42—C62—C52 | 107.2 (5) |
O31—C51—H51A | 110.6 | O42—C62—H62A | 110.3 |
C61—C51—H51A | 110.6 | C52—C62—H62A | 110.3 |
O31—C51—H51B | 110.6 | O42—C62—H62B | 110.3 |
C61—C51—H51B | 110.6 | C52—C62—H62B | 110.3 |
H51A—C51—H51B | 108.7 | H62A—C62—H62B | 108.5 |
O41—C61—C51 | 107.7 (5) | O42—C72—C82 | 108.4 (4) |
O41—C61—H61A | 110.2 | O42—C72—H72A | 110.0 |
C51—C61—H61A | 110.2 | C82—C72—H72A | 110.0 |
O41—C61—H61B | 110.2 | O42—C72—H72B | 110.0 |
C51—C61—H61B | 110.2 | C82—C72—H72B | 110.0 |
H61A—C61—H61B | 108.5 | H72A—C72—H72B | 108.4 |
O41—C71—C81 | 107.9 (4) | O52—C82—C72 | 108.2 (4) |
O41—C71—H71A | 110.1 | O52—C82—H82A | 110.1 |
C81—C71—H71A | 110.1 | C72—C82—H82A | 110.1 |
O41—C71—H71B | 110.1 | O52—C82—H82B | 110.1 |
C81—C71—H71B | 110.1 | C72—C82—H82B | 110.1 |
H71A—C71—H71B | 108.4 | H82A—C82—H82B | 108.4 |
O51—C81—C71 | 107.6 (4) | O52—C92—C102 | 106.3 (4) |
O51—C81—H81A | 110.2 | O52—C92—H92A | 110.5 |
C71—C81—H81A | 110.2 | C102—C92—H92A | 110.5 |
O51—C81—H81B | 110.2 | O52—C92—H92B | 110.5 |
C71—C81—H81B | 110.2 | C102—C92—H92B | 110.5 |
H81A—C81—H81B | 108.5 | H92A—C92—H92B | 108.7 |
O51—C91—C101 | 107.3 (4) | O12—C102—C92 | 105.4 (4) |
O51—C91—H91A | 110.3 | O12—C102—H10C | 110.7 |
C101—C91—H91A | 110.3 | C92—C102—H10C | 110.7 |
O51—C91—H91B | 110.3 | O12—C102—H10D | 110.7 |
C101—C91—H91B | 110.3 | C92—C102—H10D | 110.7 |
H91A—C91—H91B | 108.5 | H10C—C102—H10D | 108.8 |
O11—C101—C91 | 106.1 (4) | O91—N1—O81 | 122.6 (6) |
O11—C101—H10A | 110.5 | O91—N1—O101 | 118.8 (6) |
C91—C101—H10A | 110.5 | O81—N1—O101 | 118.5 (6) |
O11—C101—H10B | 110.5 | O82—N2—O92 | 122.0 (5) |
C91—C101—H10B | 110.5 | O82—N2—O102 | 118.7 (5) |
H10A—C101—H10B | 108.7 | O92—N2—O102 | 119.2 (5) |
O62—Ni2—O72 | 178.91 (15) | O83—N3—O93 | 123.5 (5) |
O62—Ni2—O52 | 88.51 (14) | O83—N3—O103 | 119.2 (5) |
O72—Ni2—O52 | 90.41 (14) | O93—N3—O103 | 117.3 (5) |
O62—Ni2—O22 | 84.39 (16) | O94—N4—O84 | 122.9 (6) |
O72—Ni2—O22 | 96.42 (16) | O94—N4—O104 | 118.7 (5) |
O52—Ni2—O22 | 142.58 (14) | O84—N4—O104 | 118.4 (5) |
O61—Ni1—O11—C101 | 63.5 (3) | O62—Ni2—O12—C12 | −66.1 (3) |
O71—Ni1—O11—C101 | −114.9 (3) | O72—Ni2—O12—C12 | 114.9 (3) |
O51—Ni1—O11—C101 | −25.4 (3) | O52—Ni2—O12—C12 | −153.6 (3) |
O21—Ni1—O11—C101 | 146.5 (3) | O22—Ni2—O12—C12 | 17.3 (3) |
O31—Ni1—O11—C101 | 165.9 (3) | O32—Ni2—O12—C12 | 38.0 (4) |
O41—Ni1—O11—C101 | −25.3 (4) | O42—Ni2—O12—C12 | −154.8 (3) |
O61—Ni1—O11—C11 | −64.5 (3) | O62—Ni2—O12—C102 | 60.5 (3) |
O71—Ni1—O11—C11 | 117.2 (3) | O72—Ni2—O12—C102 | −118.5 (3) |
O51—Ni1—O11—C11 | −153.4 (3) | O52—Ni2—O12—C102 | −27.1 (3) |
O21—Ni1—O11—C11 | 18.6 (3) | O22—Ni2—O12—C102 | 143.8 (3) |
O31—Ni1—O11—C11 | 38.0 (4) | O32—Ni2—O12—C102 | 164.5 (3) |
O41—Ni1—O11—C11 | −153.2 (3) | O42—Ni2—O12—C102 | −28.3 (4) |
O61—Ni1—O21—C31 | −116.4 (3) | O62—Ni2—O22—C22 | 109.4 (4) |
O71—Ni1—O21—C31 | 64.3 (3) | O72—Ni2—O22—C22 | −69.9 (4) |
O51—Ni1—O21—C31 | 163.1 (3) | O52—Ni2—O22—C22 | 29.3 (4) |
O31—Ni1—O21—C31 | −18.4 (3) | O32—Ni2—O22—C22 | −152.7 (4) |
O11—Ni1—O21—C31 | 149.7 (3) | O42—Ni2—O22—C22 | −173.6 (3) |
O41—Ni1—O21—C31 | −38.5 (4) | O12—Ni2—O22—C22 | 15.0 (3) |
O61—Ni1—O21—C21 | 108.1 (4) | O62—Ni2—O22—C32 | −113.5 (3) |
O71—Ni1—O21—C21 | −71.2 (4) | O72—Ni2—O22—C32 | 67.2 (3) |
O51—Ni1—O21—C21 | 27.5 (4) | O52—Ni2—O22—C32 | 166.3 (3) |
O31—Ni1—O21—C21 | −153.9 (4) | O32—Ni2—O22—C32 | −15.6 (3) |
O11—Ni1—O21—C21 | 14.1 (3) | O42—Ni2—O22—C32 | −36.5 (4) |
O41—Ni1—O21—C21 | −174.0 (3) | O12—Ni2—O22—C32 | 152.1 (3) |
O61—Ni1—O31—C51 | −66.3 (4) | O62—Ni2—O32—C42 | 65.8 (3) |
O71—Ni1—O31—C51 | 112.4 (4) | O72—Ni2—O32—C42 | −114.8 (3) |
O51—Ni1—O31—C51 | 30.5 (4) | O52—Ni2—O32—C42 | 161.4 (3) |
O21—Ni1—O31—C51 | −148.1 (4) | O22—Ni2—O32—C42 | −16.6 (3) |
O11—Ni1—O31—C51 | −167.6 (3) | O42—Ni2—O32—C42 | 151.1 (3) |
O41—Ni1—O31—C51 | 19.4 (3) | O12—Ni2—O32—C42 | −37.2 (4) |
O61—Ni1—O31—C41 | 67.2 (3) | O62—Ni2—O32—C52 | −66.6 (4) |
O71—Ni1—O31—C41 | −114.1 (3) | O72—Ni2—O32—C52 | 112.8 (4) |
O51—Ni1—O31—C41 | 164.0 (3) | O52—Ni2—O32—C52 | 29.0 (5) |
O21—Ni1—O31—C41 | −14.6 (3) | O22—Ni2—O32—C52 | −149.0 (4) |
O11—Ni1—O31—C41 | −34.0 (4) | O42—Ni2—O32—C52 | 18.6 (4) |
O41—Ni1—O31—C41 | 152.9 (3) | O12—Ni2—O32—C52 | −169.6 (3) |
O61—Ni1—O41—C71 | −119.7 (3) | O62—Ni2—O42—C72 | −118.1 (4) |
O71—Ni1—O41—C71 | 58.8 (3) | O72—Ni2—O42—C72 | 60.9 (4) |
O51—Ni1—O41—C71 | −29.4 (3) | O52—Ni2—O42—C72 | −28.7 (3) |
O21—Ni1—O41—C71 | 163.6 (3) | O22—Ni2—O42—C72 | 165.8 (3) |
O31—Ni1—O41—C71 | 143.5 (3) | O32—Ni2—O42—C72 | 144.8 (4) |
O11—Ni1—O41—C71 | −29.5 (4) | O12—Ni2—O42—C72 | −27.5 (4) |
O61—Ni1—O41—C61 | 110.8 (4) | O62—Ni2—O42—C62 | 110.0 (4) |
O71—Ni1—O41—C61 | −70.7 (4) | O72—Ni2—O42—C62 | −71.0 (4) |
O51—Ni1—O41—C61 | −158.9 (4) | O52—Ni2—O42—C62 | −160.6 (4) |
O21—Ni1—O41—C61 | 34.1 (4) | O22—Ni2—O42—C62 | 33.9 (5) |
O31—Ni1—O41—C61 | 14.0 (3) | O32—Ni2—O42—C62 | 12.9 (4) |
O11—Ni1—O41—C61 | −159.1 (3) | O12—Ni2—O42—C62 | −159.4 (4) |
O61—Ni1—O51—C91 | −96.4 (4) | O62—Ni2—O52—C92 | −96.7 (4) |
O71—Ni1—O51—C91 | 83.9 (3) | O72—Ni2—O52—C92 | 83.2 (4) |
O21—Ni1—O51—C91 | −17.6 (4) | O22—Ni2—O52—C92 | −18.0 (4) |
O31—Ni1—O51—C91 | 164.7 (3) | O32—Ni2—O52—C92 | 165.2 (3) |
O11—Ni1—O51—C91 | −4.2 (3) | O42—Ni2—O52—C92 | 175.7 (4) |
O41—Ni1—O51—C91 | 175.9 (4) | O12—Ni2—O52—C92 | −3.5 (3) |
O61—Ni1—O51—C81 | 91.6 (4) | O62—Ni2—O52—C82 | 91.9 (4) |
O71—Ni1—O51—C81 | −88.1 (4) | O72—Ni2—O52—C82 | −88.2 (4) |
O21—Ni1—O51—C81 | 170.3 (3) | O22—Ni2—O52—C82 | 170.6 (3) |
O31—Ni1—O51—C81 | −7.3 (4) | O32—Ni2—O52—C82 | −6.2 (4) |
O11—Ni1—O51—C81 | −176.2 (4) | O42—Ni2—O52—C82 | 4.3 (3) |
O41—Ni1—O51—C81 | 3.9 (3) | O12—Ni2—O52—C82 | −174.9 (4) |
C101—O11—C11—C21 | −172.0 (4) | C102—O12—C12—C22 | −169.3 (4) |
Ni1—O11—C11—C21 | −46.7 (5) | Ni2—O12—C12—C22 | −44.9 (5) |
C31—O21—C21—C11 | −178.9 (4) | C32—O22—C22—C12 | −179.6 (4) |
Ni1—O21—C21—C11 | −43.0 (5) | Ni2—O22—C22—C12 | −42.8 (5) |
O11—C11—C21—O21 | 57.9 (6) | O12—C12—C22—O22 | 56.7 (6) |
C21—O21—C31—C41 | −178.4 (4) | C22—O22—C32—C42 | −179.3 (4) |
Ni1—O21—C31—C41 | 45.8 (5) | Ni2—O22—C32—C42 | 42.8 (5) |
C51—O31—C41—C31 | 175.4 (4) | C52—O32—C42—C32 | 175.4 (4) |
Ni1—O31—C41—C31 | 42.4 (4) | Ni2—O32—C42—C32 | 43.5 (5) |
O21—C31—C41—O31 | −55.9 (5) | O22—C32—C42—O32 | −55.0 (5) |
C41—O31—C51—C61 | 179.4 (4) | C42—O32—C52—C62 | −178.8 (5) |
Ni1—O31—C51—C61 | −47.5 (5) | Ni2—O32—C52—C62 | −46.8 (6) |
C71—O41—C61—C51 | −169.6 (5) | C72—O42—C62—C52 | −170.5 (5) |
Ni1—O41—C61—C51 | −43.0 (5) | Ni2—O42—C62—C52 | −40.8 (6) |
O31—C51—C61—O41 | 59.0 (6) | O32—C52—C62—O42 | 57.0 (7) |
C61—O41—C71—C81 | 176.9 (5) | C62—O42—C72—C82 | 177.4 (5) |
Ni1—O41—C71—C81 | 49.5 (5) | Ni2—O42—C72—C82 | 47.6 (6) |
C91—O51—C81—C71 | −151.5 (4) | C92—O52—C82—C72 | −153.1 (5) |
Ni1—O51—C81—C71 | 20.7 (6) | Ni2—O52—C82—C72 | 18.8 (6) |
O41—C71—C81—O51 | −45.1 (6) | O42—C72—C82—O52 | −42.4 (7) |
C81—O51—C91—C101 | −155.9 (4) | C82—O52—C92—C102 | −156.9 (4) |
Ni1—O51—C91—C101 | 31.7 (5) | Ni2—O52—C92—C102 | 31.2 (5) |
C11—O11—C101—C91 | 175.2 (4) | C12—O12—C102—C92 | 175.2 (4) |
Ni1—O11—C101—C91 | 49.2 (5) | Ni2—O12—C102—C92 | 50.7 (5) |
O51—C91—C101—O11 | −51.6 (5) | O52—C92—C102—O12 | −51.8 (5) |
D—H···A | D—H | H···A | D···A | D—H···A |
O61—H1W···O93 | 0.82 (1) | 1.97 (1) | 2.789 (6) | 174 (7) |
O61—H2W···O104 | 0.81 (1) | 2.00 (2) | 2.792 (6) | 164 (5) |
O61—H2W···O84 | 0.81 (1) | 2.51 (4) | 3.173 (6) | 140 (4) |
O71—H3W···O102i | 0.81 (1) | 2.14 (4) | 2.779 (6) | 136 (5) |
O71—H4W···O91 | 0.81 (1) | 2.08 (2) | 2.864 (7) | 161 (6) |
O71—H4W···O101 | 0.81 (1) | 2.44 (5) | 3.085 (6) | 137 (6) |
O62—H5W···O92 | 0.81 (1) | 1.93 (2) | 2.721 (5) | 165 (7) |
O62—H5W···O102 | 0.81 (1) | 2.63 (4) | 3.313 (6) | 142 (6) |
O62—H6W···O103ii | 0.81 (1) | 1.95 (1) | 2.753 (6) | 172 (6) |
O72—H7W···O101iii | 0.81 (1) | 2.08 (3) | 2.843 (6) | 157 (6) |
O72—H8W···O104 | 0.82 (1) | 2.20 (2) | 2.972 (5) | 156 (5) |
O72—H8W···O94 | 0.82 (1) | 2.32 (4) | 2.992 (7) | 141 (6) |
Symmetry codes: (i) x+1/2, y−1/2, z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1/2, −y+1/2, −z. |
C10H24CuO72+·2(NO3−) | Z = 8 |
Mr = 443.85 | F(000) = 1848 |
Triclinic, C1 | Dx = 1.658 Mg m−3 |
a = 14.769 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 27.924 (3) Å | Cell parameters from 7471 reflections |
c = 10.642 (2) Å | θ = 1.0–27.5° |
α = 89.91 (2)° | µ = 1.30 mm−1 |
β = 125.88 (2)° | T = 320 K |
γ = 90.06 (2)° | Block, colourless |
V = 3556.1 (13) Å3 | 0.32 × 0.30 × 0.15 mm |
Nonius KappaCCD diffractometer | 8078 independent reflections |
Radiation source: fine-focus sealed tube | 6313 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.023 |
Detector resolution: 18 pixels mm-1 | θmax = 27.5°, θmin = 1.9° |
ω scans at fixed χ = 55° | h = −19→19 |
Absorption correction: multi-scan SCALEPACK (Otwinowski & Minor, 2006) | k = −36→36 |
Tmin = 0.681, Tmax = 0.829 | l = −13→13 |
15229 measured reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.037 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.099 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.11 | w = 1/[σ2(Fo2) + (0.050P)2] where P = (Fo2 + 2Fc2)/3 |
8078 reflections | (Δ/σ)max = 0.002 |
494 parameters | Δρmax = 0.44 e Å−3 |
12 restraints | Δρmin = −0.41 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Cu1 | 0.49767 (4) | 0.251206 (13) | 0.48812 (7) | 0.03740 (15) | |
O11 | 0.68750 (19) | 0.26496 (9) | 0.6147 (3) | 0.0480 (6) | |
O21 | 0.5156 (2) | 0.30366 (9) | 0.3461 (3) | 0.0501 (7) | |
O31 | 0.3319 (2) | 0.25541 (8) | 0.2557 (3) | 0.0498 (7) | |
O41 | 0.3688 (2) | 0.21477 (8) | 0.5154 (3) | 0.0562 (7) | |
O51 | 0.58465 (19) | 0.21827 (8) | 0.7106 (3) | 0.0507 (7) | |
O61 | 0.4816 (3) | 0.30719 (13) | 0.5741 (3) | 0.0548 (8) | |
H1W | 0.501 (4) | 0.3056 (17) | 0.663 (2) | 0.082* | |
H2W | 0.446 (3) | 0.3313 (10) | 0.532 (4) | 0.082* | |
O71 | 0.5177 (3) | 0.19429 (13) | 0.4089 (3) | 0.0568 (8) | |
H3W | 0.552 (4) | 0.1712 (11) | 0.460 (4) | 0.085* | |
H4W | 0.493 (4) | 0.1918 (17) | 0.3196 (18) | 0.085* | |
C11 | 0.7035 (3) | 0.30897 (15) | 0.5598 (5) | 0.0636 (11) | |
H11A | 0.7803 | 0.3116 | 0.5938 | 0.076* | |
H11B | 0.6867 | 0.3362 | 0.5994 | 0.076* | |
C21 | 0.6262 (3) | 0.30761 (16) | 0.3878 (5) | 0.0642 (12) | |
H21A | 0.6336 | 0.3366 | 0.3442 | 0.077* | |
H21B | 0.6432 | 0.2804 | 0.3485 | 0.077* | |
C31 | 0.4297 (3) | 0.30051 (14) | 0.1824 (4) | 0.0536 (10) | |
H31A | 0.4414 | 0.2727 | 0.1390 | 0.064* | |
H31B | 0.4296 | 0.3289 | 0.1298 | 0.064* | |
C41 | 0.3215 (3) | 0.29620 (13) | 0.1645 (4) | 0.0533 (11) | |
H41A | 0.3074 | 0.3250 | 0.2012 | 0.064* | |
H41B | 0.2601 | 0.2915 | 0.0564 | 0.064* | |
C51 | 0.2412 (3) | 0.24860 (17) | 0.2684 (5) | 0.0639 (13) | |
H51A | 0.1717 | 0.2441 | 0.1665 | 0.077* | |
H51B | 0.2336 | 0.2763 | 0.3163 | 0.077* | |
C61 | 0.2676 (3) | 0.20497 (16) | 0.3665 (5) | 0.0666 (12) | |
H61A | 0.2074 | 0.1983 | 0.3760 | 0.080* | |
H61B | 0.2773 | 0.1774 | 0.3201 | 0.080* | |
C71 | 0.4192 (4) | 0.17430 (15) | 0.6128 (5) | 0.0642 (11) | |
H71A | 0.4318 | 0.1496 | 0.5605 | 0.077* | |
H71B | 0.3708 | 0.1613 | 0.6382 | 0.077* | |
C81 | 0.5279 (4) | 0.18959 (15) | 0.7573 (5) | 0.0610 (11) | |
H81A | 0.5151 | 0.2081 | 0.8225 | 0.073* | |
H81B | 0.5727 | 0.1618 | 0.8154 | 0.073* | |
C91 | 0.7034 (3) | 0.21824 (15) | 0.8097 (4) | 0.0529 (11) | |
H91A | 0.7323 | 0.1908 | 0.7878 | 0.063* | |
H91B | 0.7302 | 0.2168 | 0.9174 | 0.063* | |
C101 | 0.7403 (3) | 0.26409 (15) | 0.7779 (4) | 0.0554 (10) | |
H10A | 0.7174 | 0.2915 | 0.8089 | 0.066* | |
H10B | 0.8209 | 0.2647 | 0.8345 | 0.066* | |
Cu2 | 0.25654 (3) | 0.499262 (14) | 0.01728 (5) | 0.03693 (14) | |
O12 | 0.06638 (19) | 0.51338 (9) | −0.1102 (3) | 0.0498 (6) | |
O22 | 0.2409 (2) | 0.55178 (10) | 0.1592 (3) | 0.0523 (7) | |
O32 | 0.4236 (2) | 0.50234 (9) | 0.2501 (3) | 0.0523 (7) | |
O42 | 0.3837 (2) | 0.46148 (10) | −0.0104 (3) | 0.0607 (7) | |
O52 | 0.16829 (18) | 0.46685 (8) | −0.2061 (2) | 0.0503 (6) | |
O62 | 0.2763 (3) | 0.55546 (13) | −0.0673 (3) | 0.0588 (9) | |
H5W | 0.264 (4) | 0.5556 (18) | −0.153 (3) | 0.088* | |
H6W | 0.316 (3) | 0.5781 (12) | −0.017 (4) | 0.088* | |
O72 | 0.2375 (3) | 0.44210 (12) | 0.1002 (3) | 0.0559 (8) | |
H7W | 0.188 (3) | 0.4234 (13) | 0.045 (4) | 0.084* | |
H8W | 0.252 (4) | 0.4429 (17) | 0.186 (2) | 0.084* | |
C12 | 0.0518 (4) | 0.55644 (16) | −0.0530 (5) | 0.0680 (12) | |
H12A | −0.0245 | 0.5588 | −0.0852 | 0.082* | |
H12B | 0.0671 | 0.5839 | −0.0940 | 0.082* | |
C22 | 0.1310 (3) | 0.55575 (17) | 0.1201 (5) | 0.0672 (12) | |
H22A | 0.1240 | 0.5850 | 0.1629 | 0.081* | |
H22B | 0.1150 | 0.5287 | 0.1616 | 0.081* | |
C32 | 0.3274 (3) | 0.54860 (14) | 0.3198 (4) | 0.0571 (11) | |
H32A | 0.3157 | 0.5211 | 0.3645 | 0.069* | |
H32B | 0.3291 | 0.5772 | 0.3726 | 0.069* | |
C42 | 0.4350 (3) | 0.54338 (16) | 0.3363 (4) | 0.0560 (11) | |
H42A | 0.4487 | 0.5715 | 0.2962 | 0.067* | |
H42B | 0.4970 | 0.5394 | 0.4445 | 0.067* | |
C52 | 0.5132 (3) | 0.49472 (18) | 0.2370 (5) | 0.0696 (13) | |
H52A | 0.5826 | 0.4896 | 0.3386 | 0.083* | |
H52B | 0.5222 | 0.5223 | 0.1897 | 0.083* | |
C62 | 0.4841 (3) | 0.45154 (19) | 0.1382 (5) | 0.0762 (14) | |
H62A | 0.5440 | 0.4442 | 0.1286 | 0.091* | |
H62B | 0.4734 | 0.4242 | 0.1846 | 0.091* | |
C72 | 0.3297 (4) | 0.42143 (15) | −0.1109 (5) | 0.0647 (11) | |
H72A | 0.3159 | 0.3968 | −0.0598 | 0.078* | |
H72B | 0.3765 | 0.4081 | −0.1385 | 0.078* | |
C82 | 0.2231 (3) | 0.43841 (15) | −0.2511 (4) | 0.0599 (11) | |
H82A | 0.2372 | 0.4570 | −0.3151 | 0.072* | |
H82B | 0.1766 | 0.4113 | −0.3113 | 0.072* | |
C92 | 0.0498 (3) | 0.46819 (15) | −0.3083 (4) | 0.0513 (10) | |
H92A | 0.0184 | 0.4404 | −0.2918 | 0.062* | |
H92B | 0.0251 | 0.4681 | −0.4152 | 0.062* | |
C102 | 0.0130 (3) | 0.51284 (16) | −0.2747 (4) | 0.0569 (11) | |
H10C | 0.0350 | 0.5407 | −0.3055 | 0.068* | |
H10D | −0.0676 | 0.5131 | −0.3308 | 0.068* | |
N1 | 0.4382 (3) | 0.15566 (15) | 0.0579 (4) | 0.0530 (10) | |
O81 | 0.4184 (4) | 0.1431 (2) | −0.0661 (5) | 0.1193 (17) | |
O91 | 0.4943 (3) | 0.19032 (15) | 0.1283 (5) | 0.0896 (12) | |
O101 | 0.3943 (3) | 0.13344 (17) | 0.1063 (5) | 0.1114 (17) | |
N2 | 0.1819 (3) | 0.59168 (13) | −0.4311 (4) | 0.0452 (9) | |
O82 | 0.1793 (3) | 0.60077 (15) | −0.5459 (4) | 0.0826 (11) | |
O92 | 0.2298 (3) | 0.55523 (13) | −0.3524 (4) | 0.0696 (10) | |
O102 | 0.1344 (3) | 0.61835 (13) | −0.3943 (4) | 0.0844 (12) | |
N3 | 0.5708 (3) | 0.34173 (15) | 0.9332 (4) | 0.0502 (10) | |
O83 | 0.5693 (3) | 0.35681 (17) | 1.0401 (4) | 0.0857 (12) | |
O93 | 0.5179 (3) | 0.30573 (14) | 0.8576 (4) | 0.0738 (10) | |
O103 | 0.6304 (3) | 0.36230 (12) | 0.9034 (4) | 0.0661 (9) | |
N4 | 0.3141 (3) | 0.40586 (13) | 0.4550 (4) | 0.0466 (9) | |
O84 | 0.3337 (3) | 0.39197 (16) | 0.5776 (4) | 0.0797 (11) | |
O94 | 0.2544 (3) | 0.44025 (14) | 0.3856 (5) | 0.0983 (13) | |
O104 | 0.3585 (3) | 0.38562 (14) | 0.4004 (4) | 0.0780 (11) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0384 (3) | 0.0348 (3) | 0.0374 (3) | 0.0046 (2) | 0.0213 (2) | 0.0012 (2) |
O11 | 0.0460 (14) | 0.0533 (15) | 0.0443 (14) | −0.0013 (12) | 0.0262 (12) | 0.0028 (12) |
O21 | 0.0454 (14) | 0.0571 (16) | 0.0448 (15) | 0.0059 (12) | 0.0248 (12) | 0.0051 (12) |
O31 | 0.0454 (16) | 0.0493 (15) | 0.0499 (16) | 0.0062 (12) | 0.0251 (13) | 0.0055 (11) |
O41 | 0.0507 (15) | 0.0532 (16) | 0.0600 (16) | −0.0028 (12) | 0.0298 (13) | 0.0030 (13) |
O51 | 0.0464 (15) | 0.0521 (15) | 0.0478 (14) | 0.0027 (11) | 0.0245 (12) | 0.0149 (11) |
O61 | 0.070 (2) | 0.0470 (18) | 0.0435 (15) | 0.0136 (15) | 0.0308 (16) | −0.0020 (13) |
O71 | 0.071 (2) | 0.0466 (18) | 0.0413 (15) | 0.0195 (15) | 0.0267 (15) | 0.0010 (13) |
C11 | 0.046 (2) | 0.070 (3) | 0.072 (3) | −0.011 (2) | 0.032 (2) | 0.010 (2) |
C21 | 0.056 (3) | 0.071 (3) | 0.072 (3) | 0.004 (2) | 0.041 (2) | 0.023 (2) |
C31 | 0.066 (3) | 0.049 (2) | 0.044 (2) | 0.0154 (19) | 0.0310 (19) | 0.0152 (16) |
C41 | 0.055 (2) | 0.040 (2) | 0.042 (2) | 0.0111 (17) | 0.0156 (17) | 0.0032 (16) |
C51 | 0.036 (2) | 0.091 (3) | 0.050 (3) | −0.0032 (18) | 0.016 (2) | −0.002 (2) |
C61 | 0.045 (2) | 0.077 (3) | 0.068 (3) | −0.020 (2) | 0.028 (2) | −0.003 (2) |
C71 | 0.073 (3) | 0.058 (3) | 0.071 (3) | −0.011 (2) | 0.047 (2) | 0.007 (2) |
C81 | 0.076 (3) | 0.053 (3) | 0.065 (3) | 0.001 (2) | 0.048 (3) | 0.013 (2) |
C91 | 0.048 (2) | 0.058 (3) | 0.039 (2) | 0.012 (2) | 0.0179 (17) | 0.0041 (18) |
C101 | 0.042 (2) | 0.066 (3) | 0.046 (2) | 0.0022 (19) | 0.0193 (18) | 0.000 (2) |
Cu2 | 0.0379 (3) | 0.0354 (3) | 0.0347 (3) | −0.0047 (2) | 0.0197 (2) | −0.0023 (2) |
O12 | 0.0442 (14) | 0.0538 (15) | 0.0466 (14) | 0.0036 (11) | 0.0239 (12) | −0.0019 (11) |
O22 | 0.0496 (15) | 0.0612 (17) | 0.0468 (15) | −0.0008 (13) | 0.0285 (13) | −0.0033 (12) |
O32 | 0.0412 (14) | 0.0575 (16) | 0.0502 (15) | −0.0065 (13) | 0.0223 (12) | −0.0106 (12) |
O42 | 0.0505 (15) | 0.0698 (18) | 0.0516 (15) | 0.0030 (13) | 0.0243 (13) | −0.0077 (13) |
O52 | 0.0428 (14) | 0.0588 (15) | 0.0428 (13) | 0.0008 (11) | 0.0214 (11) | −0.0114 (11) |
O62 | 0.088 (2) | 0.0467 (18) | 0.0504 (17) | −0.0265 (17) | 0.0451 (18) | −0.0104 (14) |
O72 | 0.068 (2) | 0.0456 (17) | 0.0425 (14) | −0.0196 (15) | 0.0259 (15) | −0.0005 (14) |
C12 | 0.055 (3) | 0.063 (3) | 0.078 (3) | 0.006 (2) | 0.034 (2) | −0.013 (2) |
C22 | 0.062 (3) | 0.077 (3) | 0.074 (3) | 0.006 (2) | 0.046 (2) | −0.015 (2) |
C32 | 0.076 (3) | 0.045 (2) | 0.044 (2) | −0.0032 (19) | 0.031 (2) | −0.0101 (16) |
C42 | 0.055 (2) | 0.058 (2) | 0.0366 (19) | −0.0146 (19) | 0.0167 (17) | −0.0067 (17) |
C52 | 0.040 (2) | 0.085 (3) | 0.064 (3) | 0.001 (2) | 0.019 (2) | −0.008 (2) |
C62 | 0.046 (2) | 0.102 (4) | 0.062 (3) | 0.021 (2) | 0.021 (2) | −0.008 (3) |
C72 | 0.063 (3) | 0.066 (3) | 0.061 (2) | 0.011 (2) | 0.034 (2) | −0.012 (2) |
C82 | 0.068 (3) | 0.058 (3) | 0.051 (2) | 0.001 (2) | 0.033 (2) | −0.017 (2) |
C92 | 0.044 (2) | 0.059 (3) | 0.0326 (18) | −0.0059 (19) | 0.0127 (16) | −0.0011 (17) |
C102 | 0.048 (2) | 0.070 (3) | 0.041 (2) | 0.011 (2) | 0.0190 (18) | 0.0102 (18) |
N1 | 0.049 (2) | 0.050 (2) | 0.048 (2) | 0.0057 (18) | 0.0210 (17) | −0.0057 (17) |
O81 | 0.104 (3) | 0.160 (4) | 0.080 (2) | 0.027 (3) | 0.046 (2) | −0.044 (3) |
O91 | 0.087 (2) | 0.062 (2) | 0.095 (2) | −0.030 (2) | 0.039 (2) | −0.020 (2) |
O101 | 0.081 (3) | 0.151 (4) | 0.088 (3) | −0.014 (3) | 0.042 (2) | 0.056 (3) |
N2 | 0.0450 (19) | 0.0380 (19) | 0.0414 (17) | −0.0091 (16) | 0.0190 (15) | −0.0072 (15) |
O82 | 0.111 (3) | 0.079 (2) | 0.073 (2) | −0.008 (2) | 0.062 (2) | 0.0102 (18) |
O92 | 0.094 (2) | 0.055 (2) | 0.0653 (18) | 0.0293 (17) | 0.0496 (18) | 0.0133 (16) |
O102 | 0.110 (3) | 0.066 (2) | 0.0692 (19) | 0.045 (2) | 0.048 (2) | 0.0088 (17) |
N3 | 0.052 (2) | 0.051 (2) | 0.0398 (17) | 0.0058 (18) | 0.0228 (16) | 0.0025 (16) |
O83 | 0.089 (2) | 0.114 (3) | 0.072 (2) | 0.011 (2) | 0.057 (2) | −0.018 (2) |
O93 | 0.080 (2) | 0.063 (2) | 0.0678 (19) | −0.0269 (17) | 0.0373 (17) | −0.0151 (16) |
O103 | 0.085 (2) | 0.0600 (19) | 0.0668 (18) | −0.0040 (16) | 0.0523 (17) | 0.0048 (15) |
N4 | 0.0477 (19) | 0.0358 (19) | 0.0490 (19) | −0.0070 (16) | 0.0243 (16) | −0.0076 (15) |
O84 | 0.103 (3) | 0.088 (2) | 0.0640 (19) | −0.0011 (19) | 0.0581 (19) | 0.0036 (17) |
O94 | 0.085 (2) | 0.058 (2) | 0.109 (3) | 0.0293 (19) | 0.033 (2) | 0.013 (2) |
O104 | 0.090 (2) | 0.086 (3) | 0.0563 (17) | 0.014 (2) | 0.0417 (17) | −0.0084 (18) |
Cu1—O61 | 1.897 (3) | Cu2—O12 | 2.328 (3) |
Cu1—O71 | 1.903 (3) | O12—C12 | 1.421 (5) |
Cu1—O51 | 2.129 (2) | O12—C102 | 1.438 (4) |
Cu1—O21 | 2.227 (3) | O22—C32 | 1.415 (4) |
Cu1—O31 | 2.242 (3) | O22—C22 | 1.424 (5) |
Cu1—O11 | 2.323 (3) | O32—C42 | 1.416 (5) |
Cu1—O41 | 2.321 (3) | O32—C52 | 1.427 (5) |
O11—C101 | 1.427 (5) | O42—C72 | 1.426 (5) |
O11—C11 | 1.438 (4) | O42—C62 | 1.424 (5) |
O21—C21 | 1.424 (4) | O52—C82 | 1.405 (4) |
O21—C31 | 1.435 (4) | O52—C92 | 1.420 (4) |
O31—C51 | 1.436 (5) | O62—H5W | 0.813 (10) |
O31—C41 | 1.444 (4) | O62—H6W | 0.812 (10) |
O41—C71 | 1.414 (5) | O72—H7W | 0.804 (10) |
O41—C61 | 1.430 (5) | O72—H8W | 0.808 (10) |
O51—C91 | 1.421 (4) | C12—C22 | 1.496 (6) |
O51—C81 | 1.441 (4) | C12—H12A | 0.9700 |
O61—H1W | 0.812 (10) | C12—H12B | 0.9700 |
O61—H2W | 0.810 (10) | C22—H22A | 0.9700 |
O71—H3W | 0.802 (10) | C22—H22B | 0.9700 |
O71—H4W | 0.798 (10) | C32—C42 | 1.499 (6) |
C11—C21 | 1.486 (6) | C32—H32A | 0.9700 |
C11—H11A | 0.9700 | C32—H32B | 0.9700 |
C11—H11B | 0.9700 | C42—H42A | 0.9700 |
C21—H21A | 0.9700 | C42—H42B | 0.9700 |
C21—H21B | 0.9700 | C52—C62 | 1.489 (7) |
C31—C41 | 1.499 (6) | C52—H52A | 0.9700 |
C31—H31A | 0.9700 | C52—H52B | 0.9700 |
C31—H31B | 0.9700 | C62—H62A | 0.9700 |
C41—H41A | 0.9700 | C62—H62B | 0.9700 |
C41—H41B | 0.9700 | C72—C82 | 1.475 (5) |
C51—C61 | 1.499 (6) | C72—H72A | 0.9700 |
C51—H51A | 0.9700 | C72—H72B | 0.9700 |
C51—H51B | 0.9700 | C82—H82A | 0.9700 |
C61—H61A | 0.9700 | C82—H82B | 0.9700 |
C61—H61B | 0.9700 | C92—C102 | 1.486 (6) |
C71—C81 | 1.494 (6) | C92—H92A | 0.9700 |
C71—H71A | 0.9700 | C92—H92B | 0.9700 |
C71—H71B | 0.9700 | C102—H10C | 0.9700 |
C81—H81A | 0.9700 | C102—H10D | 0.9700 |
C81—H81B | 0.9700 | N1—O91 | 1.207 (5) |
C91—C101 | 1.505 (6) | N1—O101 | 1.210 (5) |
C91—H91A | 0.9700 | N1—O81 | 1.224 (5) |
C91—H91B | 0.9700 | N2—O82 | 1.227 (4) |
C101—H10A | 0.9700 | N2—O102 | 1.234 (5) |
C101—H10B | 0.9700 | N2—O92 | 1.242 (5) |
Cu2—O62 | 1.913 (3) | N3—O83 | 1.225 (5) |
Cu2—O72 | 1.921 (3) | N3—O93 | 1.238 (5) |
Cu2—O52 | 2.131 (2) | N3—O103 | 1.238 (5) |
Cu2—O22 | 2.214 (3) | N4—O94 | 1.217 (5) |
Cu2—O32 | 2.251 (3) | N4—O84 | 1.221 (4) |
Cu2—O42 | 2.320 (3) | N4—O104 | 1.239 (5) |
O61—Cu1—O71 | 178.02 (10) | O62—Cu2—O32 | 96.60 (12) |
O61—Cu1—O51 | 89.04 (12) | O72—Cu2—O32 | 83.55 (12) |
O71—Cu1—O51 | 89.06 (11) | O52—Cu2—O32 | 143.47 (10) |
O61—Cu1—O21 | 83.35 (13) | O22—Cu2—O32 | 73.06 (10) |
O71—Cu1—O21 | 97.86 (13) | O62—Cu2—O42 | 87.45 (14) |
O51—Cu1—O21 | 143.46 (10) | O72—Cu2—O42 | 91.58 (14) |
O61—Cu1—O31 | 97.19 (11) | O52—Cu2—O42 | 71.07 (10) |
O71—Cu1—O31 | 84.67 (11) | O22—Cu2—O42 | 143.62 (10) |
O51—Cu1—O31 | 143.73 (10) | O32—Cu2—O42 | 73.21 (10) |
O21—Cu1—O31 | 72.80 (10) | O62—Cu2—O12 | 92.95 (14) |
O61—Cu1—O11 | 91.93 (13) | O72—Cu2—O12 | 87.54 (13) |
O71—Cu1—O11 | 86.95 (13) | O52—Cu2—O12 | 71.44 (9) |
O51—Cu1—O11 | 71.91 (10) | O22—Cu2—O12 | 73.29 (10) |
O21—Cu1—O11 | 72.69 (10) | O32—Cu2—O12 | 143.56 (10) |
O31—Cu1—O11 | 142.91 (10) | O42—Cu2—O12 | 142.50 (9) |
O61—Cu1—O41 | 87.51 (13) | C12—O12—C102 | 114.7 (3) |
O71—Cu1—O41 | 92.40 (14) | C12—O12—Cu2 | 109.1 (2) |
O51—Cu1—O41 | 71.15 (10) | C102—O12—Cu2 | 108.7 (2) |
O21—Cu1—O41 | 143.54 (10) | C32—O22—C22 | 115.2 (3) |
O31—Cu1—O41 | 73.47 (10) | C32—O22—Cu2 | 113.7 (2) |
O11—Cu1—O41 | 143.06 (9) | C22—O22—Cu2 | 114.2 (2) |
C101—O11—C11 | 113.9 (3) | C42—O32—C52 | 114.9 (3) |
C101—O11—Cu1 | 108.4 (2) | C42—O32—Cu2 | 112.5 (2) |
C11—O11—Cu1 | 109.6 (2) | C52—O32—Cu2 | 111.6 (2) |
C21—O21—C31 | 114.8 (3) | C72—O42—C62 | 116.2 (3) |
C21—O21—Cu1 | 114.2 (2) | C72—O42—Cu2 | 108.3 (2) |
C31—O21—Cu1 | 114.3 (2) | C62—O42—Cu2 | 109.9 (2) |
C51—O31—C41 | 115.4 (3) | C82—O52—C92 | 116.9 (3) |
C51—O31—Cu1 | 111.4 (2) | C82—O52—Cu2 | 121.6 (2) |
C41—O31—Cu1 | 113.5 (2) | C92—O52—Cu2 | 121.1 (2) |
C71—O41—C61 | 114.7 (3) | Cu2—O62—H5W | 122 (3) |
C71—O41—Cu1 | 108.8 (2) | Cu2—O62—H6W | 125 (3) |
C61—O41—Cu1 | 110.2 (2) | H5W—O62—H6W | 110 (2) |
C91—O51—C81 | 117.2 (3) | Cu2—O72—H7W | 121 (3) |
C91—O51—Cu1 | 120.2 (2) | Cu2—O72—H8W | 119 (3) |
C81—O51—Cu1 | 121.9 (2) | H7W—O72—H8W | 111 (3) |
Cu1—O61—H1W | 117 (3) | O12—C12—C22 | 108.2 (4) |
Cu1—O61—H2W | 130 (3) | O12—C12—H12A | 110.1 |
H1W—O61—H2W | 111 (2) | C22—C12—H12A | 110.1 |
Cu1—O71—H3W | 124 (3) | O12—C12—H12B | 110.1 |
Cu1—O71—H4W | 122 (3) | C22—C12—H12B | 110.1 |
H3W—O71—H4W | 114 (3) | H12A—C12—H12B | 108.4 |
O11—C11—C21 | 106.7 (3) | O22—C22—C12 | 107.1 (3) |
O11—C11—H11A | 110.4 | O22—C22—H22A | 110.3 |
C21—C11—H11A | 110.4 | C12—C22—H22A | 110.3 |
O11—C11—H11B | 110.4 | O22—C22—H22B | 110.3 |
C21—C11—H11B | 110.4 | C12—C22—H22B | 110.3 |
H11A—C11—H11B | 108.6 | H22A—C22—H22B | 108.5 |
O21—C21—C11 | 107.4 (3) | O22—C32—C42 | 107.0 (3) |
O21—C21—H21A | 110.2 | O22—C32—H32A | 110.3 |
C11—C21—H21A | 110.2 | C42—C32—H32A | 110.3 |
O21—C21—H21B | 110.2 | O22—C32—H32B | 110.3 |
C11—C21—H21B | 110.2 | C42—C32—H32B | 110.3 |
H21A—C21—H21B | 108.5 | H32A—C32—H32B | 108.6 |
O21—C31—C41 | 106.1 (3) | O32—C42—C32 | 106.7 (3) |
O21—C31—H31A | 110.5 | O32—C42—H42A | 110.4 |
C41—C31—H31A | 110.5 | C32—C42—H42A | 110.4 |
O21—C31—H31B | 110.5 | O32—C42—H42B | 110.4 |
C41—C31—H31B | 110.5 | C32—C42—H42B | 110.4 |
H31A—C31—H31B | 108.7 | H42A—C42—H42B | 108.6 |
O31—C41—C31 | 107.0 (3) | O32—C52—C62 | 106.9 (4) |
O31—C41—H41A | 110.3 | O32—C52—H52A | 110.3 |
C31—C41—H41A | 110.3 | C62—C52—H52A | 110.3 |
O31—C41—H41B | 110.3 | O32—C52—H52B | 110.3 |
C31—C41—H41B | 110.3 | C62—C52—H52B | 110.3 |
H41A—C41—H41B | 108.6 | H52A—C52—H52B | 108.6 |
O31—C51—C61 | 107.2 (3) | O42—C62—C52 | 108.0 (4) |
O31—C51—H51A | 110.3 | O42—C62—H62A | 110.1 |
C61—C51—H51A | 110.3 | C52—C62—H62A | 110.1 |
O31—C51—H51B | 110.3 | O42—C62—H62B | 110.1 |
C61—C51—H51B | 110.3 | C52—C62—H62B | 110.1 |
H51A—C51—H51B | 108.5 | H62A—C62—H62B | 108.4 |
O41—C61—C51 | 107.0 (3) | O42—C72—C82 | 107.6 (3) |
O41—C61—H61A | 110.3 | O42—C72—H72A | 110.2 |
C51—C61—H61A | 110.3 | C82—C72—H72A | 110.2 |
O41—C61—H61B | 110.3 | O42—C72—H72B | 110.2 |
C51—C61—H61B | 110.3 | C82—C72—H72B | 110.2 |
H61A—C61—H61B | 108.6 | H72A—C72—H72B | 108.5 |
O41—C71—C81 | 108.2 (3) | O52—C82—C72 | 108.9 (3) |
O41—C71—H71A | 110.1 | O52—C82—H82A | 109.9 |
C81—C71—H71A | 110.1 | C72—C82—H82A | 109.9 |
O41—C71—H71B | 110.1 | O52—C82—H82B | 109.9 |
C81—C71—H71B | 110.1 | C72—C82—H82B | 109.9 |
H71A—C71—H71B | 108.4 | H82A—C82—H82B | 108.3 |
O51—C81—C71 | 107.2 (3) | O52—C92—C102 | 107.4 (3) |
O51—C81—H81A | 110.3 | O52—C92—H92A | 110.2 |
C71—C81—H81A | 110.3 | C102—C92—H92A | 110.2 |
O51—C81—H81B | 110.3 | O52—C92—H92B | 110.2 |
C71—C81—H81B | 110.3 | C102—C92—H92B | 110.2 |
H81A—C81—H81B | 108.5 | H92A—C92—H92B | 108.5 |
O51—C91—C101 | 106.5 (3) | O12—C102—C92 | 106.6 (3) |
O51—C91—H91A | 110.4 | O12—C102—H10C | 110.4 |
C101—C91—H91A | 110.4 | C92—C102—H10C | 110.4 |
O51—C91—H91B | 110.4 | O12—C102—H10D | 110.4 |
C101—C91—H91B | 110.4 | C92—C102—H10D | 110.4 |
H91A—C91—H91B | 108.6 | H10C—C102—H10D | 108.6 |
O11—C101—C91 | 106.0 (3) | O91—N1—O101 | 119.3 (5) |
O11—C101—H10A | 110.5 | O91—N1—O81 | 123.0 (5) |
C91—C101—H10A | 110.5 | O101—N1—O81 | 117.6 (5) |
O11—C101—H10B | 110.5 | O82—N2—O102 | 120.0 (4) |
C91—C101—H10B | 110.5 | O82—N2—O92 | 120.8 (4) |
H10A—C101—H10B | 108.7 | O102—N2—O92 | 119.1 (4) |
O62—Cu2—O72 | 178.93 (12) | O83—N3—O93 | 122.4 (5) |
O62—Cu2—O52 | 89.23 (11) | O83—N3—O103 | 118.7 (4) |
O72—Cu2—O52 | 90.02 (11) | O93—N3—O103 | 118.8 (4) |
O62—Cu2—O22 | 83.26 (13) | O94—N4—O84 | 122.1 (5) |
O72—Cu2—O22 | 97.80 (13) | O94—N4—O104 | 118.1 (4) |
O52—Cu2—O22 | 143.45 (10) | O84—N4—O104 | 119.8 (4) |
O61—Cu1—O11—C101 | 61.6 (3) | O62—Cu2—O12—C12 | −64.5 (3) |
O71—Cu1—O11—C101 | −116.8 (2) | O72—Cu2—O12—C12 | 116.5 (3) |
O51—Cu1—O11—C101 | −26.8 (2) | O52—Cu2—O12—C12 | −152.7 (3) |
O21—Cu1—O11—C101 | 144.0 (2) | O22—Cu2—O12—C12 | 17.6 (2) |
O31—Cu1—O11—C101 | 166.2 (2) | O32—Cu2—O12—C12 | 40.8 (3) |
O41—Cu1—O11—C101 | −26.8 (3) | O42—Cu2—O12—C12 | −154.1 (2) |
O61—Cu1—O11—C11 | −63.3 (3) | O62—Cu2—O12—C102 | 61.4 (3) |
O71—Cu1—O11—C11 | 118.3 (3) | O72—Cu2—O12—C102 | −117.7 (3) |
O51—Cu1—O11—C11 | −151.7 (3) | O52—Cu2—O12—C102 | −26.8 (2) |
O21—Cu1—O11—C11 | 19.1 (2) | O22—Cu2—O12—C102 | 143.4 (3) |
O31—Cu1—O11—C11 | 41.3 (3) | O32—Cu2—O12—C102 | 166.6 (2) |
O41—Cu1—O11—C11 | −151.7 (2) | O42—Cu2—O12—C102 | −28.3 (3) |
O61—Cu1—O21—C21 | 107.9 (3) | O62—Cu2—O22—C32 | −115.2 (3) |
O71—Cu1—O21—C21 | −70.5 (3) | O72—Cu2—O22—C32 | 64.6 (3) |
O51—Cu1—O21—C21 | 28.6 (3) | O52—Cu2—O22—C32 | 165.3 (2) |
O31—Cu1—O21—C21 | −152.4 (3) | O32—Cu2—O22—C32 | −16.2 (2) |
O11—Cu1—O21—C21 | 13.8 (3) | O42—Cu2—O22—C32 | −38.8 (3) |
O41—Cu1—O21—C21 | −175.5 (2) | O12—Cu2—O22—C32 | 149.7 (3) |
O61—Cu1—O21—C31 | −117.1 (3) | O62—Cu2—O22—C22 | 109.9 (3) |
O71—Cu1—O21—C31 | 64.4 (3) | O72—Cu2—O22—C22 | −70.3 (3) |
O51—Cu1—O21—C31 | 163.6 (2) | O52—Cu2—O22—C22 | 30.4 (3) |
O31—Cu1—O21—C31 | −17.5 (2) | O32—Cu2—O22—C22 | −151.1 (3) |
O11—Cu1—O21—C31 | 148.7 (3) | O42—Cu2—O22—C22 | −173.7 (2) |
O41—Cu1—O21—C31 | −40.5 (3) | O12—Cu2—O22—C22 | 14.8 (3) |
O61—Cu1—O31—C51 | −66.3 (3) | O62—Cu2—O32—C42 | 64.4 (3) |
O71—Cu1—O31—C51 | 113.0 (3) | O72—Cu2—O32—C42 | −116.6 (3) |
O51—Cu1—O31—C51 | 31.9 (3) | O52—Cu2—O32—C42 | 162.1 (2) |
O21—Cu1—O31—C51 | −147.1 (3) | O22—Cu2—O32—C42 | −16.4 (2) |
O11—Cu1—O31—C51 | −169.3 (2) | O42—Cu2—O32—C42 | 149.7 (3) |
O41—Cu1—O31—C51 | 18.9 (2) | O12—Cu2—O32—C42 | −39.7 (3) |
O61—Cu1—O31—C41 | 66.0 (3) | O62—Cu2—O32—C52 | −66.3 (3) |
O71—Cu1—O31—C41 | −114.7 (3) | O72—Cu2—O32—C52 | 112.6 (3) |
O51—Cu1—O31—C41 | 164.3 (2) | O52—Cu2—O32—C52 | 31.4 (3) |
O21—Cu1—O31—C41 | −14.7 (2) | O22—Cu2—O32—C52 | −147.2 (3) |
O11—Cu1—O31—C41 | −36.9 (3) | O42—Cu2—O32—C52 | 19.0 (3) |
O41—Cu1—O31—C41 | 151.2 (2) | O12—Cu2—O32—C52 | −170.4 (2) |
O61—Cu1—O41—C71 | −120.5 (3) | O62—Cu2—O42—C72 | −120.2 (2) |
O71—Cu1—O41—C71 | 57.5 (3) | O72—Cu2—O42—C72 | 59.3 (2) |
O51—Cu1—O41—C71 | −30.7 (2) | O52—Cu2—O42—C72 | −30.1 (2) |
O21—Cu1—O41—C71 | 164.2 (2) | O22—Cu2—O42—C72 | 164.8 (2) |
O31—Cu1—O41—C71 | 141.2 (3) | O32—Cu2—O42—C72 | 142.1 (3) |
O11—Cu1—O41—C71 | −30.6 (3) | O12—Cu2—O42—C72 | −28.7 (3) |
O61—Cu1—O41—C61 | 112.8 (3) | O62—Cu2—O42—C62 | 111.9 (3) |
O71—Cu1—O41—C61 | −69.2 (3) | O72—Cu2—O42—C62 | −68.6 (3) |
O51—Cu1—O41—C61 | −157.3 (3) | O52—Cu2—O42—C62 | −158.0 (3) |
O21—Cu1—O41—C61 | 37.5 (3) | O22—Cu2—O42—C62 | 36.9 (4) |
O31—Cu1—O41—C61 | 14.6 (3) | O32—Cu2—O42—C62 | 14.2 (3) |
O11—Cu1—O41—C61 | −157.3 (2) | O12—Cu2—O42—C62 | −156.6 (3) |
O61—Cu1—O51—C91 | −96.6 (3) | O62—Cu2—O52—C82 | 92.2 (3) |
O71—Cu1—O51—C91 | 82.8 (3) | O72—Cu2—O52—C82 | −87.0 (3) |
O21—Cu1—O51—C91 | −19.2 (3) | O22—Cu2—O52—C82 | 169.8 (2) |
O31—Cu1—O51—C91 | 162.5 (2) | O32—Cu2—O52—C82 | −7.8 (3) |
O11—Cu1—O51—C91 | −4.3 (3) | O42—Cu2—O52—C82 | 4.7 (3) |
O41—Cu1—O51—C91 | 175.7 (3) | O12—Cu2—O52—C82 | −174.4 (3) |
O61—Cu1—O51—C81 | 92.5 (3) | O62—Cu2—O52—C92 | −95.7 (3) |
O71—Cu1—O51—C81 | −88.0 (3) | O72—Cu2—O52—C92 | 85.1 (3) |
O21—Cu1—O51—C81 | 170.0 (2) | O22—Cu2—O52—C92 | −18.1 (3) |
O31—Cu1—O51—C81 | −8.4 (3) | O32—Cu2—O52—C92 | 164.3 (2) |
O11—Cu1—O51—C81 | −175.1 (3) | O42—Cu2—O52—C92 | 176.8 (3) |
O41—Cu1—O51—C81 | 4.8 (3) | O12—Cu2—O52—C92 | −2.3 (3) |
C101—O11—C11—C21 | −169.1 (3) | C102—O12—C12—C22 | −167.9 (3) |
Cu1—O11—C11—C21 | −47.4 (4) | Cu2—O12—C12—C22 | −45.6 (4) |
C31—O21—C21—C11 | −178.3 (3) | C32—O22—C22—C12 | −177.5 (3) |
Cu1—O21—C21—C11 | −43.6 (4) | Cu2—O22—C22—C12 | −43.3 (4) |
O11—C11—C21—O21 | 60.0 (4) | O12—C12—C22—O22 | 59.1 (5) |
C21—O21—C31—C41 | 179.5 (3) | C22—O22—C32—C42 | 178.5 (3) |
Cu1—O21—C31—C41 | 44.8 (3) | Cu2—O22—C32—C42 | 44.1 (4) |
C51—O31—C41—C31 | 172.9 (3) | C52—O32—C42—C32 | 173.0 (3) |
Cu1—O31—C41—C31 | 42.6 (3) | Cu2—O32—C42—C32 | 43.9 (4) |
O21—C31—C41—O31 | −55.7 (4) | O22—C32—C42—O32 | −57.1 (4) |
C41—O31—C51—C61 | −180.0 (3) | C42—O32—C52—C62 | −177.8 (4) |
Cu1—O31—C51—C61 | −48.6 (4) | Cu2—O32—C52—C62 | −48.3 (4) |
C71—O41—C61—C51 | −167.2 (4) | C72—O42—C62—C52 | −167.3 (4) |
Cu1—O41—C61—C51 | −44.0 (4) | Cu2—O42—C62—C52 | −43.9 (5) |
O31—C51—C61—O41 | 61.7 (5) | O32—C52—C62—O42 | 61.7 (5) |
C61—O41—C71—C81 | 175.3 (4) | C62—O42—C72—C82 | 174.6 (4) |
Cu1—O41—C71—C81 | 51.3 (4) | Cu2—O42—C72—C82 | 50.4 (4) |
C91—O51—C81—C71 | −151.0 (3) | C92—O52—C82—C72 | −151.6 (3) |
Cu1—O51—C81—C71 | 20.1 (4) | Cu2—O52—C82—C72 | 20.8 (4) |
O41—C71—C81—O51 | −46.5 (5) | O42—C72—C82—O52 | −46.8 (5) |
C81—O51—C91—C101 | −156.1 (3) | C82—O52—C92—C102 | −157.8 (3) |
Cu1—O51—C91—C101 | 32.6 (4) | Cu2—O52—C92—C102 | 29.8 (4) |
C11—O11—C101—C91 | 173.6 (3) | C12—O12—C102—C92 | 172.7 (3) |
Cu1—O11—C101—C91 | 51.3 (3) | Cu2—O12—C102—C92 | 50.2 (4) |
O51—C91—C101—O11 | −54.3 (4) | O52—C92—C102—O12 | −51.6 (4) |
C10H24CoO72+·2(NO3−) | Dx = 1.628 Mg m−3 |
Mr = 439.24 | Cu Kα radiation, λ = 1.54178 Å |
Tetragonal, P41212 | Cell parameters from 8673 reflections |
a = 8.110 (2) Å | θ = 4.9–67.6° |
c = 27.247 (3) Å | µ = 8.17 mm−1 |
V = 1791.9 (7) Å3 | T = 323 K |
Z = 4 | Block, purple |
F(000) = 916 | 0.20 × 0.15 × 0.15 mm |
Bruker-Nonius X8 Proteum diffractometer | 1635 independent reflections |
Radiation source: fine-focus rotating anode | 1509 reflections with I > 2σ(I) |
Graded multi-layer optics monochromator | Rint = 0.063 |
Detector resolution: 18 pixels mm-1 | θmax = 68.2°, θmin = 5.7° |
ω and φ scans | h = −9→9 |
Absorption correction: multi-scan SADABS in APEX2 (Bruker-Nonius, 2004) | k = −7→9 |
Tmin = 0.193, Tmax = 0.292 | l = −32→32 |
21414 measured reflections |
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.041 | w = 1/[σ2(Fo2) + (0.070P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.109 | (Δ/σ)max < 0.001 |
S = 1.28 | Δρmax = 0.34 e Å−3 |
1635 reflections | Δρmin = −0.24 e Å−3 |
170 parameters | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
18 restraints | Extinction coefficient: 0.0084 (9) |
Primary atom site location: structure-invariant direct methods | Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881 |
Secondary atom site location: difference Fourier map | Absolute structure parameter: −0.007 (7) |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Co1 | 0.58573 (5) | 0.58573 (5) | 0.0000 | 0.0379 (2) | |
O1 | 0.8251 (5) | 0.5733 (5) | 0.03369 (14) | 0.0477 (10) | 0.50 |
O2 | 0.5973 (6) | 0.3524 (6) | 0.0350 (2) | 0.0701 (15) | 0.50 |
O3 | 0.3420 (8) | 0.4609 (6) | −0.0115 (2) | 0.0681 (15) | 0.50 |
O4 | 0.4313 (6) | 0.7297 (5) | −0.05614 (17) | 0.0511 (10) | 0.50 |
O5 | 0.6944 (5) | 0.8387 (5) | −0.00979 (13) | 0.0437 (10) | 0.50 |
O6 | 0.4950 (3) | 0.6984 (3) | 0.06273 (8) | 0.0550 (6) | |
H106 | 0.418 (4) | 0.763 (5) | 0.0582 (15) | 0.083* | |
H206 | 0.460 (5) | 0.637 (5) | 0.0844 (13) | 0.083* | |
C1 | 0.8311 (11) | 0.4581 (9) | 0.0735 (3) | 0.0586 (17) | 0.50 |
H1A | 0.7779 | 0.5049 | 0.1022 | 0.070* | 0.50 |
H1B | 0.9450 | 0.4342 | 0.0818 | 0.070* | 0.50 |
C2 | 0.7452 (12) | 0.3032 (10) | 0.0586 (5) | 0.0573 (19) | 0.50 |
H2A | 0.8137 | 0.2396 | 0.0364 | 0.069* | 0.50 |
H2B | 0.7207 | 0.2361 | 0.0872 | 0.069* | 0.50 |
C3 | 0.4758 (14) | 0.2300 (13) | 0.0299 (5) | 0.088 (3) | 0.50 |
H3A | 0.4327 | 0.2011 | 0.0620 | 0.105* | 0.50 |
H3B | 0.5245 | 0.1318 | 0.0156 | 0.105* | 0.50 |
C4 | 0.3387 (10) | 0.2892 (7) | −0.0020 (7) | 0.084 (3) | 0.50 |
H4A | 0.3433 | 0.2306 | −0.0330 | 0.101* | 0.50 |
H4B | 0.2346 | 0.2618 | 0.0136 | 0.101* | 0.50 |
C5 | 0.2465 (13) | 0.5141 (13) | −0.0520 (4) | 0.088 (3) | 0.50 |
H5A | 0.1325 | 0.4801 | −0.0483 | 0.105* | 0.50 |
H5B | 0.2892 | 0.4683 | −0.0824 | 0.105* | 0.50 |
C6 | 0.2596 (8) | 0.6972 (12) | −0.0523 (5) | 0.0573 (19) | 0.50 |
H6A | 0.2006 | 0.7435 | −0.0800 | 0.069* | 0.50 |
H6B | 0.2151 | 0.7434 | −0.0223 | 0.069* | 0.50 |
C7 | 0.4679 (9) | 0.9016 (7) | −0.0600 (3) | 0.0586 (17) | 0.50 |
H7A | 0.4120 | 0.9626 | −0.0343 | 0.070* | 0.50 |
H7B | 0.4321 | 0.9439 | −0.0915 | 0.070* | 0.50 |
C8 | 0.6515 (8) | 0.9189 (12) | −0.0548 (3) | 0.0567 (15) | 0.50 |
H8A | 0.7074 | 0.8671 | −0.0822 | 0.068* | 0.50 |
H8B | 0.6826 | 1.0343 | −0.0537 | 0.068* | 0.50 |
C9 | 0.8672 (10) | 0.8368 (15) | 0.0011 (6) | 0.055 (2) | 0.50 |
H9A | 0.9063 | 0.9479 | 0.0072 | 0.066* | 0.50 |
H9B | 0.9284 | 0.7915 | −0.0264 | 0.066* | 0.50 |
C10 | 0.8908 (11) | 0.7320 (7) | 0.0457 (3) | 0.0567 (15) | 0.50 |
H10A | 1.0070 | 0.7235 | 0.0538 | 0.068* | 0.50 |
H10B | 0.8328 | 0.7789 | 0.0735 | 0.068* | 0.50 |
N1 | 0.1916 (4) | −0.0059 (3) | 0.09208 (9) | 0.0498 (6) | |
O7 | 0.2398 (3) | −0.0706 (3) | 0.05309 (8) | 0.0610 (6) | |
O8 | 0.0505 (3) | 0.0464 (4) | 0.09653 (12) | 0.0842 (9) | |
O9 | 0.2855 (5) | 0.0056 (6) | 0.12705 (11) | 0.1103 (15) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0365 (3) | 0.0365 (3) | 0.0407 (3) | −0.0056 (3) | 0.0018 (2) | −0.0018 (2) |
O1 | 0.047 (2) | 0.049 (3) | 0.047 (2) | −0.014 (2) | −0.0113 (17) | 0.003 (2) |
O2 | 0.052 (3) | 0.053 (3) | 0.105 (4) | −0.013 (2) | −0.018 (3) | 0.020 (3) |
O3 | 0.069 (3) | 0.054 (3) | 0.081 (3) | −0.026 (3) | −0.026 (3) | 0.013 (2) |
O4 | 0.046 (3) | 0.044 (3) | 0.063 (3) | 0.000 (2) | −0.002 (2) | 0.007 (2) |
O5 | 0.043 (2) | 0.043 (2) | 0.045 (2) | −0.0058 (18) | −0.0042 (18) | 0.0055 (17) |
O6 | 0.0649 (16) | 0.0536 (14) | 0.0465 (11) | 0.0107 (11) | 0.0193 (11) | 0.0042 (10) |
C1 | 0.051 (5) | 0.067 (3) | 0.057 (4) | 0.000 (4) | −0.014 (3) | 0.011 (3) |
C2 | 0.080 (6) | 0.041 (5) | 0.051 (3) | 0.007 (4) | −0.026 (4) | −0.008 (4) |
C3 | 0.082 (6) | 0.047 (3) | 0.134 (9) | −0.035 (3) | −0.010 (6) | 0.009 (5) |
C4 | 0.048 (6) | 0.047 (6) | 0.157 (8) | −0.008 (5) | 0.002 (9) | −0.008 (8) |
C5 | 0.047 (3) | 0.082 (6) | 0.134 (9) | −0.035 (3) | −0.009 (5) | 0.010 (6) |
C6 | 0.041 (5) | 0.080 (6) | 0.051 (3) | 0.007 (4) | 0.008 (4) | 0.026 (4) |
C7 | 0.067 (3) | 0.051 (5) | 0.057 (4) | 0.000 (4) | −0.011 (3) | 0.014 (3) |
C8 | 0.055 (4) | 0.052 (3) | 0.063 (3) | −0.010 (4) | 0.006 (3) | 0.015 (2) |
C9 | 0.046 (6) | 0.054 (6) | 0.066 (3) | −0.017 (4) | −0.010 (5) | 0.012 (5) |
C10 | 0.052 (3) | 0.055 (4) | 0.063 (3) | −0.010 (4) | −0.015 (2) | −0.006 (3) |
N1 | 0.0504 (17) | 0.0497 (16) | 0.0493 (14) | −0.0030 (12) | 0.0034 (11) | −0.0032 (12) |
O7 | 0.0620 (15) | 0.0618 (15) | 0.0592 (13) | 0.0014 (13) | 0.0126 (11) | −0.0134 (11) |
O8 | 0.0547 (17) | 0.111 (2) | 0.0865 (18) | 0.0190 (15) | −0.0003 (13) | −0.0357 (18) |
O9 | 0.091 (2) | 0.175 (4) | 0.0646 (16) | 0.025 (2) | −0.0236 (17) | −0.019 (2) |
Co1—O6 | 2.073 (2) | C3—C4 | 1.490 (5) |
Co1—O2 | 2.121 (5) | C3—H3A | 0.9700 |
Co1—O1 | 2.149 (4) | C3—H3B | 0.9700 |
Co1—O3 | 2.243 (5) | C4—H4A | 0.9700 |
Co1—O5 | 2.249 (4) | C4—H4B | 0.9700 |
Co1—O4 | 2.296 (5) | C5—C6 | 1.488 (5) |
O1—C10 | 1.431 (5) | C5—H5A | 0.9700 |
O1—C1 | 1.433 (5) | C5—H5B | 0.9700 |
O2—C3 | 1.406 (5) | C6—H6A | 0.9700 |
O2—C2 | 1.419 (5) | C6—H6B | 0.9700 |
O3—C4 | 1.417 (5) | C7—C8 | 1.502 (5) |
O3—C5 | 1.416 (5) | C7—H7A | 0.9700 |
O4—C7 | 1.429 (5) | C7—H7B | 0.9700 |
O4—C6 | 1.420 (5) | C8—H8A | 0.9700 |
O5—C8 | 1.430 (5) | C8—H8B | 0.9700 |
O5—C9 | 1.432 (5) | C9—C10 | 1.496 (5) |
O6—H106 | 0.83 (5) | C9—H9A | 0.9700 |
O6—H206 | 0.82 (5) | C9—H9B | 0.9700 |
C1—C2 | 1.493 (5) | C10—H10A | 0.9700 |
C1—H1A | 0.9700 | C10—H10B | 0.9700 |
C1—H1B | 0.9700 | N1—O8 | 1.226 (4) |
C2—H2A | 0.9700 | N1—O9 | 1.223 (4) |
C2—H2B | 0.9700 | N1—O7 | 1.248 (3) |
O6—Co1—O2 | 92.21 (19) | O2—C3—H3B | 109.5 |
O6—Co1—O1 | 89.36 (14) | C4—C3—H3B | 109.5 |
O2—Co1—O1 | 74.11 (15) | H3A—C3—H3B | 108.1 |
O6—Co1—O3 | 90.08 (18) | O3—C4—C3 | 114.2 (8) |
O2—Co1—O3 | 72.50 (18) | O3—C4—H4A | 108.7 |
O1—Co1—O3 | 146.55 (16) | C3—C4—H4A | 108.7 |
O6—Co1—O5 | 80.50 (13) | O3—C4—H4B | 108.7 |
O2—Co1—O5 | 148.21 (16) | C3—C4—H4B | 108.7 |
O1—Co1—O5 | 74.90 (15) | H4A—C4—H4B | 107.6 |
O3—Co1—O5 | 137.78 (17) | O3—C5—C6 | 105.6 (7) |
O6—Co1—O4 | 97.57 (13) | O3—C5—H5A | 110.6 |
O2—Co1—O4 | 141.01 (17) | C6—C5—H5A | 110.6 |
O1—Co1—O4 | 143.23 (16) | O3—C5—H5B | 110.6 |
O3—Co1—O4 | 69.85 (16) | C6—C5—H5B | 110.6 |
O5—Co1—O4 | 70.79 (14) | H5A—C5—H5B | 108.8 |
C10—O1—C1 | 113.6 (5) | O4—C6—C5 | 104.8 (7) |
C10—O1—Co1 | 113.1 (4) | O4—C6—H6A | 110.8 |
C1—O1—Co1 | 112.7 (4) | C5—C6—H6A | 110.8 |
C3—O2—C2 | 116.0 (7) | O4—C6—H6B | 110.8 |
C3—O2—Co1 | 123.7 (6) | C5—C6—H6B | 110.8 |
C2—O2—Co1 | 119.5 (5) | H6A—C6—H6B | 108.9 |
C4—O3—C5 | 115.6 (8) | O4—C7—C8 | 106.9 (6) |
C4—O3—Co1 | 115.8 (5) | O4—C7—H7A | 110.3 |
C5—O3—Co1 | 117.0 (5) | C8—C7—H7A | 110.3 |
C7—O4—C6 | 113.0 (6) | O4—C7—H7B | 110.3 |
C7—O4—Co1 | 115.5 (4) | C8—C7—H7B | 110.3 |
C6—O4—Co1 | 113.0 (5) | H7A—C7—H7B | 108.6 |
C8—O5—C9 | 114.8 (6) | O5—C8—C7 | 106.2 (5) |
C8—O5—Co1 | 114.9 (4) | O5—C8—H8A | 110.5 |
C9—O5—Co1 | 110.4 (4) | C7—C8—H8A | 110.5 |
Co1—O6—H106 | 115 (3) | O5—C8—H8B | 110.5 |
Co1—O6—H206 | 117 (3) | C7—C8—H8B | 110.5 |
H106—O6—H206 | 103 (2) | H8A—C8—H8B | 108.7 |
O1—C1—C2 | 109.1 (7) | O5—C9—C10 | 107.4 (7) |
O1—C1—H1A | 109.9 | O5—C9—H9A | 110.2 |
C2—C1—H1A | 109.9 | C10—C9—H9A | 110.2 |
O1—C1—H1B | 109.9 | O5—C9—H9B | 110.2 |
C2—C1—H1B | 109.9 | C10—C9—H9B | 110.2 |
H1A—C1—H1B | 108.3 | H9A—C9—H9B | 108.5 |
O2—C2—C1 | 106.3 (6) | O1—C10—C9 | 106.1 (6) |
O2—C2—H2A | 110.5 | O1—C10—H10A | 110.5 |
C1—C2—H2A | 110.5 | C9—C10—H10A | 110.5 |
O2—C2—H2B | 110.5 | O1—C10—H10B | 110.5 |
C1—C2—H2B | 110.5 | C9—C10—H10B | 110.5 |
H2A—C2—H2B | 108.7 | H10A—C10—H10B | 108.7 |
O2—C3—C4 | 110.7 (8) | O8—N1—O9 | 118.5 (3) |
O2—C3—H3A | 109.5 | O8—N1—O7 | 121.4 (3) |
C4—C3—H3A | 109.5 | O9—N1—O7 | 120.0 (3) |
O6—Co1—O1—C10 | −60.8 (5) | O3—Co1—O4—C6 | 21.8 (6) |
O2—Co1—O1—C10 | −153.3 (5) | O5—Co1—O4—C6 | −142.7 (7) |
O3—Co1—O1—C10 | −150.0 (5) | O6—Co1—O5—C8 | −123.2 (5) |
O5—Co1—O1—C10 | 19.5 (5) | O2—Co1—O5—C8 | 158.1 (5) |
O4—Co1—O1—C10 | 41.0 (6) | O1—Co1—O5—C8 | 144.9 (5) |
O6—Co1—O1—C1 | 69.7 (4) | O3—Co1—O5—C8 | −43.7 (5) |
O2—Co1—O1—C1 | −22.8 (5) | O4—Co1—O5—C8 | −21.6 (4) |
O3—Co1—O1—C1 | −19.5 (6) | O6—Co1—O5—C9 | 105.0 (8) |
O5—Co1—O1—C1 | 150.0 (5) | O2—Co1—O5—C9 | 26.3 (9) |
O4—Co1—O1—C1 | 171.5 (4) | O1—Co1—O5—C9 | 13.1 (8) |
O6—Co1—O2—C3 | 98.5 (9) | O3—Co1—O5—C9 | −175.5 (8) |
O1—Co1—O2—C3 | −172.8 (10) | O4—Co1—O5—C9 | −153.5 (8) |
O3—Co1—O2—C3 | 9.1 (9) | C10—O1—C1—C2 | 174.6 (8) |
O5—Co1—O2—C3 | 173.9 (9) | Co1—O1—C1—C2 | 44.3 (9) |
O4—Co1—O2—C3 | −6.4 (11) | C3—O2—C2—C1 | −163.1 (9) |
O6—Co1—O2—C2 | −92.0 (8) | Co1—O2—C2—C1 | 26.6 (12) |
O1—Co1—O2—C2 | −3.3 (7) | O1—C1—C2—O2 | −44.3 (12) |
O3—Co1—O2—C2 | 178.6 (8) | C2—O2—C3—C4 | −171.4 (11) |
O5—Co1—O2—C2 | −16.5 (10) | Co1—O2—C3—C4 | −1.5 (17) |
O4—Co1—O2—C2 | 163.1 (7) | C5—O3—C4—C3 | 162.3 (14) |
O6—Co1—O3—C4 | −107.8 (9) | Co1—O3—C4—C3 | 20.1 (16) |
O2—Co1—O3—C4 | −15.5 (9) | O2—C3—C4—O3 | −12.4 (19) |
O1—Co1—O3—C4 | −18.8 (10) | C4—O3—C5—C6 | 176.0 (9) |
O5—Co1—O3—C4 | 176.4 (8) | Co1—O3—C5—C6 | −42.4 (10) |
O4—Co1—O3—C4 | 154.2 (9) | C7—O4—C6—C5 | 176.4 (7) |
O6—Co1—O3—C5 | 110.6 (7) | Co1—O4—C6—C5 | −50.0 (9) |
O2—Co1—O3—C5 | −157.1 (8) | O3—C5—C6—O4 | 58.2 (10) |
O1—Co1—O3—C5 | −160.4 (7) | C6—O4—C7—C8 | 170.2 (8) |
O5—Co1—O3—C5 | 34.8 (8) | Co1—O4—C7—C8 | 37.9 (7) |
O4—Co1—O3—C5 | 12.6 (7) | C9—O5—C8—C7 | 177.9 (9) |
O6—Co1—O4—C7 | 66.8 (5) | Co1—O5—C8—C7 | 48.2 (8) |
O2—Co1—O4—C7 | 169.8 (5) | O4—C7—C8—O5 | −54.3 (9) |
O1—Co1—O4—C7 | −32.4 (6) | C8—O5—C9—C10 | −173.4 (9) |
O3—Co1—O4—C7 | 154.1 (5) | Co1—O5—C9—C10 | −41.5 (12) |
O5—Co1—O4—C7 | −10.3 (4) | C1—O1—C10—C9 | −177.4 (8) |
O6—Co1—O4—C6 | −65.5 (6) | Co1—O1—C10—C9 | −47.4 (8) |
O2—Co1—O4—C6 | 37.5 (7) | O5—C9—C10—O1 | 58.0 (12) |
O1—Co1—O4—C6 | −164.7 (6) |