The crystal structure, Hirshfeld surface analysis and spectroscopic analysis of a new polyoxometalate (POM) compound, namely, nonakis(2-methoxyaniline) bis(diphosphopentamolybdate) trihydrate, (C
7H
9NO)
9[P
2Mo
5O
23]
2·3H
2O, is reported. The title compound was synthesized using the solution method and was structurally characterized by single-crystal X-ray diffraction, which revealed
P symmetry. A study of the intermolecular interactions using Hirshfeld surface analysis confirmed that the hydrogen-bonding interactions play the dominant role in the stability of the crystal structure. The refinement was complicated by extensive disorder affecting 11 of the 16 ions and molecules in the asymmetric unit. IR and UV–Vis spectroscopic techniques were used to identify the vibrational modes and to classify this compound as an insulator.
Supporting information
CCDC reference: 1843280
Data collection: CrysAlis PRO (Rigaku OD, 2015); cell refinement: CrysAlis PRO (Rigaku OD, 2015); data reduction: CrysAlis PRO (Rigaku OD, 2015); program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007); program(s) used to refine structure: JANA2006 (Petříček et al., 2014); molecular graphics: DIAMOND3 (Brandenburg & Putz, 2005), Mercury (Macrae et al.,
2008)
and Discovery Studio Visualizer (https://www.3dsbiovia.com/).
Nonakis(2-methoxyaniline) bis(diphosphopentamolybdate) trihydrate
top
Crystal data top
(C7H10NO)8.5[P2Mo5O23]2·3H2O | Z = 2 |
Mr = 2993.5 | F(000) = 2950 |
Triclinic, P1 | Dx = 1.996 Mg m−3 |
Hall symbol: -P 1 | Cu Kα radiation, λ = 1.54184 Å |
a = 14.8316 (2) Å | Cell parameters from 14565 reflections |
b = 15.2679 (1) Å | θ = 4.0–73.6° |
c = 23.2370 (2) Å | µ = 11.57 mm−1 |
α = 89.1396 (7)° | T = 95 K |
β = 78.1097 (7)° | Polygonal shape, white |
γ = 75.4959 (8)° | 0.08 × 0.07 × 0.06 mm |
V = 4981.24 (9) Å3 | |
Data collection top
Rigaku OD SuperNova Dual source diffractometer with an AtlasS2 detector | 19576 independent reflections |
Radiation source: X-ray tube | 16182 reflections with I > 3σ(I) |
Mirror monochromator | Rint = 0.032 |
Detector resolution: 5.2027 pixels mm-1 | θmax = 74.2°, θmin = 3.5° |
ω scans | h = −17→18 |
Absorption correction: gaussian (CrysAlis PRO; Rigaku OD, 2015) | k = −12→18 |
Tmin = 0.516, Tmax = 0.641 | l = −28→28 |
35243 measured reflections | |
Refinement top
Refinement on F2 | 252 constraints |
R[F > 3σ(F)] = 0.083 | H atoms treated by a mixture of independent and constrained refinement |
wR(F) = 0.219 | Weighting scheme based on measured s.u.'s w = 1/(σ2(I) + 0.0016I2) |
S = 2.74 | (Δ/σ)max < 0.001 |
19576 reflections | Δρmax = 7.49 e Å−3 |
557 parameters | Δρmin = −4.98 e Å−3 |
38 restraints | |
Special details top
Refinement. A single crystal of 1 of size 0.08 × 0.07 × 0.06 mm was used
for X-ray diffraction study at 95K on a SuperNova four-circle diffractometer
equipped with a CCD Atlas S2 detector, using the mirrors-collimated Cu Kα
radiation (λ = 1.54184 Å). The crystal structures were solved by charge
flipping with program SUPERFLIP (Palatinus & Chapuis, 2007) and refined with
the JANA2006 program package (Petricek et al., 2014). The refinement
was carried out against all reflections. The molecular structure plots were generated using DIAMOND3 (Brandenburg &
Putz, 2005), Mercury (Macrae et al., 2008) and
DiscoveryStudio Visualizer. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Mo1bx | 0.32393 (13) | 0.13233 (14) | −0.09859 (8) | 0.02031 (17) | 0.433 (2) |
Mo4bx | 0.24160 (18) | 0.15664 (13) | 0.05157 (10) | 0.02353 (18) | 0.433 (2) |
Mo5bx | 0.20789 (16) | −0.04434 (13) | 0.10197 (9) | 0.02499 (19) | 0.433 (2) |
Mo3bx | 0.25395 (15) | −0.19654 (12) | −0.01073 (9) | 0.02366 (19) | 0.433 (2) |
Mo2bx | 0.29431 (15) | −0.08409 (13) | −0.13840 (9) | 0.02338 (18) | 0.433 (2) |
P1bx | 0.3943 (3) | −0.0461 (3) | −0.0141 (2) | 0.0200 (5) | 0.433 (2) |
P2bx | 0.1383 (3) | 0.0335 (3) | −0.0247 (2) | 0.0256 (5) | 0.433 (2) |
O3bx | 0.4004 (7) | −0.1599 (9) | −0.1641 (7) | 0.0315 (19) | 0.433 (2) |
O5bx | 0.4760 (9) | −0.1187 (8) | 0.0060 (7) | 0.0247 (16) | 0.433 (2) |
O14bx | 0.4291 (5) | 0.0216 (7) | −0.0564 (6) | 0.0212 (14) | 0.433 (2) |
O15bx | 0.1655 (8) | −0.0505 (4) | 0.0132 (3) | 0.0233 (15) | 0.433 (2) |
O1bx | 0.3161 (9) | 0.1798 (8) | −0.0222 (3) | 0.0228 (16) | 0.433 (2) |
O6bx | 0.4257 (7) | 0.1600 (11) | −0.1341 (7) | 0.0274 (17) | 0.433 (2) |
O23bx | 0.0999 (8) | −0.0616 (12) | 0.1362 (7) | 0.037 (2) | 0.433 (2) |
O17bx | 0.3490 (8) | −0.1006 (8) | −0.0495 (3) | 0.0209 (14) | 0.433 (2) |
O18bx | 0.3388 (10) | 0.0243 (6) | −0.1461 (4) | 0.0275 (18) | 0.433 (2) |
O11bx | 0.3265 (5) | −0.0019 (4) | 0.0429 (4) | 0.0221 (14) | 0.433 (2) |
O10bx | 0.2792 (8) | −0.1613 (5) | 0.0628 (4) | 0.0242 (15) | 0.433 (2) |
O13bx | 0.2400 (9) | 0.2057 (9) | −0.1273 (7) | 0.0311 (19) | 0.433 (2) |
O7bx | 0.2704 (12) | −0.0501 (12) | 0.1568 (6) | 0.0339 (19) | 0.433 (2) |
O19bx | 0.3477 (9) | −0.2925 (7) | −0.0206 (8) | 0.034 (2) | 0.433 (2) |
O16bx | 0.1578 (9) | −0.2380 (11) | 0.0152 (8) | 0.033 (2) | 0.433 (2) |
O20bx | 0.3079 (10) | 0.1745 (11) | 0.1009 (6) | 0.0292 (18) | 0.433 (2) |
O12bx | 0.2369 (10) | −0.1697 (8) | −0.0894 (4) | 0.0271 (18) | 0.433 (2) |
O21bx | 0.1619 (6) | 0.0830 (5) | 0.0938 (6) | 0.0293 (18) | 0.433 (2) |
O4bx | 0.1484 (9) | 0.2496 (8) | 0.0592 (8) | 0.0351 (19) | 0.433 (2) |
O2bx | 0.2360 (11) | −0.0864 (12) | −0.1948 (6) | 0.032 (2) | 0.433 (2) |
O22bx | 0.2096 (7) | 0.0941 (8) | −0.0275 (3) | 0.0218 (15) | 0.433 (2) |
O9bx | 0.0342 (6) | 0.0829 (10) | 0.0005 (7) | 0.0298 (18) | 0.433 (2) |
O8bx | 0.1536 (5) | −0.0068 (9) | −0.0863 (4) | 0.0274 (17) | 0.433 (2) |
O1w | 0.3950 (19) | 0.3149 (16) | −0.0293 (14) | 0.057 (3)* | 0.47 (4) |
O1w' | 0.4136 (17) | 0.3145 (14) | −0.0073 (12) | 0.057 (3)* | 0.53 (4) |
O2w | 0.450 (3) | 0.305 (2) | 0.0724 (15) | 0.072 (4)* | 0.40 (4) |
O2w' | 0.492 (2) | 0.3031 (14) | 0.0833 (10) | 0.072 (4)* | 0.60 (4) |
O3w | 0.9780 (11) | −0.2273 (10) | 0.4134 (7) | 0.038 (3)* | 0.5 |
O4w | 0.9709 (15) | 0.7500 (14) | 0.0598 (10) | 0.059 (5)* | 0.5 |
O24a | 0.1148 (4) | 0.3212 (3) | 0.2592 (2) | 0.0434 (11) | |
N1a | 0.0837 (7) | 0.3255 (6) | 0.3760 (3) | 0.0364 (12) | |
C1a | 0.1827 (9) | 0.0751 (5) | 0.2807 (5) | 0.0493 (18) | |
C2a | 0.1180 (7) | 0.2385 (6) | 0.3430 (3) | 0.0356 (13) | |
C3a | 0.1348 (9) | 0.1589 (6) | 0.3732 (4) | 0.0435 (16) | |
C4a | 0.1671 (9) | 0.0774 (6) | 0.3414 (5) | 0.0519 (19) | |
C5a | 0.1664 (7) | 0.1546 (5) | 0.2504 (4) | 0.0435 (16) | |
C6a | 0.1286 (7) | 0.3243 (6) | 0.1960 (3) | 0.053 (2) | |
C7a | 0.1337 (6) | 0.2372 (5) | 0.2827 (3) | 0.0351 (13) | |
H1c1a | 0.205147 | 0.017905 | 0.259245 | 0.0591* | |
H1c3a | 0.124071 | 0.160477 | 0.415428 | 0.0522* | |
H1c4a | 0.178719 | 0.021766 | 0.361714 | 0.0623* | |
H1c5a | 0.177316 | 0.152976 | 0.208244 | 0.0522* | |
H1c6a | 0.108455 | 0.385863 | 0.185027 | 0.0637* | |
H2c6a | 0.194752 | 0.300278 | 0.178655 | 0.0637* | |
H3c6a | 0.091647 | 0.288789 | 0.182243 | 0.0637* | |
H1n1a | 0.125835 | 0.332392 | 0.395452 | 0.0437* | |
H2n1a | 0.074592 | 0.369092 | 0.351603 | 0.0437* | |
H3n1a | 0.030391 | 0.326728 | 0.400411 | 0.0437* | |
O24b | 1.094 (2) | 0.026 (2) | 0.5027 (5) | 0.0434 (13) | 0.5 |
N1b | 0.924 (3) | 0.142 (4) | 0.5177 (9) | 0.0364 (13) | 0.5 |
C1b | 0.956 (5) | −0.131 (3) | 0.4706 (9) | 0.049 (2) | 0.5 |
C2b | 0.9351 (13) | 0.048 (2) | 0.5013 (7) | 0.0356 (15) | 0.5 |
C3b | 0.856 (3) | 0.019 (4) | 0.4942 (9) | 0.0435 (18) | 0.5 |
C4b | 0.868 (5) | −0.070 (4) | 0.4787 (10) | 0.052 (2) | 0.5 |
C5b | 1.035 (2) | −0.103 (2) | 0.4778 (7) | 0.0435 (18) | 0.5 |
C6b | 1.189 (3) | −0.033 (4) | 0.4944 (8) | 0.053 (2) | 0.5 |
C7b | 1.0234 (7) | −0.0119 (6) | 0.4936 (5) | 0.0351 (15) | 0.5 |
H1c1b | 0.963027 | −0.193057 | 0.459736 | 0.0591* | 0.5 |
H1c3b | 0.794419 | 0.061221 | 0.500009 | 0.0522* | 0.5 |
H1c4b | 0.813603 | −0.091012 | 0.473482 | 0.0623* | 0.5 |
H1c5b | 1.0967 | −0.144863 | 0.472195 | 0.0522* | 0.5 |
H1c6b | 1.232995 | 0.001972 | 0.49893 | 0.0637* | 0.5 |
H2c6b | 1.190318 | −0.078689 | 0.523186 | 0.0637* | 0.5 |
H3c6b | 1.206906 | −0.060909 | 0.455664 | 0.0637* | 0.5 |
H1n1b | 0.886026 | 0.155761 | 0.551976 | 0.0437* | 0.5 |
H2n1b | 0.979551 | 0.150734 | 0.519414 | 0.0437* | 0.5 |
H3n1b | 0.900638 | 0.176994 | 0.49157 | 0.0437* | 0.5 |
O24c | 0.3816 (6) | 0.2185 (4) | 0.2029 (3) | 0.0434 (12) | |
N1c | 0.4254 (10) | 0.0500 (6) | 0.1589 (5) | 0.0364 (12) | |
C1c | 0.4104 (11) | 0.0974 (9) | 0.3393 (4) | 0.0493 (19) | |
C2c | 0.4203 (8) | 0.0662 (5) | 0.2214 (4) | 0.0356 (14) | |
C3c | 0.4377 (11) | −0.0068 (7) | 0.2574 (5) | 0.0435 (16) | |
C4c | 0.4327 (12) | 0.0098 (9) | 0.3164 (5) | 0.052 (2) | |
C5c | 0.3926 (8) | 0.1705 (7) | 0.3034 (4) | 0.0435 (17) | |
C6c | 0.3589 (10) | 0.3117 (6) | 0.2232 (5) | 0.053 (2) | |
C7c | 0.3977 (6) | 0.1536 (5) | 0.2436 (3) | 0.0351 (14) | |
H1c1c | 0.407183 | 0.107806 | 0.38035 | 0.0591* | |
H1c3c | 0.453001 | −0.067757 | 0.241619 | 0.0522* | |
H1c4c | 0.444741 | −0.04008 | 0.341837 | 0.0623* | |
H1c5c | 0.377137 | 0.231373 | 0.319298 | 0.0522* | |
H1c6c | 0.354211 | 0.350354 | 0.190444 | 0.0637* | |
H2c6c | 0.299303 | 0.325771 | 0.251146 | 0.0637* | |
H3c6c | 0.408177 | 0.321097 | 0.241717 | 0.0637* | |
H1n1c | 0.382671 | 0.021877 | 0.154816 | 0.0437* | |
H2n1c | 0.414953 | 0.101442 | 0.141642 | 0.0437* | |
H3n1c | 0.481741 | 0.016893 | 0.142864 | 0.0437* | |
O24d | 0.9347 (5) | 0.1418 (4) | 0.2316 (3) | 0.0434 (14) | |
N1d | 0.9622 (10) | 0.1325 (7) | 0.1150 (4) | 0.0364 (14) | |
C1d | 0.8754 (11) | 0.3868 (6) | 0.2054 (6) | 0.049 (2) | |
C2d | 0.9320 (8) | 0.2208 (6) | 0.1463 (3) | 0.0356 (15) | |
C3d | 0.9187 (11) | 0.2990 (7) | 0.1145 (4) | 0.0435 (19) | |
C4d | 0.8902 (12) | 0.3819 (7) | 0.1448 (6) | 0.052 (2) | |
C5d | 0.8889 (9) | 0.3087 (6) | 0.2372 (4) | 0.043 (2) | |
C6d | 0.9198 (10) | 0.1414 (7) | 0.2949 (4) | 0.053 (2) | |
C7d | 0.9179 (6) | 0.2247 (5) | 0.2065 (3) | 0.0351 (16) | |
H1c1d | 0.855475 | 0.444848 | 0.225777 | 0.0591* | |
H1c3d | 0.929222 | 0.295682 | 0.072347 | 0.0522* | |
H1c4d | 0.880481 | 0.436591 | 0.123401 | 0.0623* | |
H1c5d | 0.878641 | 0.312068 | 0.279355 | 0.0522* | |
H1c6d | 0.928802 | 0.080143 | 0.307394 | 0.0637* | |
H2c6d | 0.964505 | 0.168442 | 0.307736 | 0.0637* | |
H3c6d | 0.856124 | 0.175293 | 0.311773 | 0.0637* | |
H1n1d | 1.017766 | 0.126798 | 0.092028 | 0.0437* | |
H2n1d | 0.965678 | 0.089844 | 0.140364 | 0.0437* | |
H3n1d | 0.921016 | 0.128182 | 0.094083 | 0.0437* | |
O24e | 0.9380 (9) | 0.6935 (8) | 0.1745 (5) | 0.0434 (14) | 0.5 |
N1e | 0.9697 (16) | 0.8544 (11) | 0.1474 (8) | 0.0364 (14) | 0.5 |
C1e | 0.8244 (14) | 0.8141 (13) | 0.3178 (7) | 0.049 (2) | 0.5 |
C2e | 0.9193 (12) | 0.8406 (8) | 0.2065 (6) | 0.0356 (15) | 0.5 |
C3e | 0.8890 (16) | 0.9118 (11) | 0.2482 (7) | 0.0435 (19) | 0.5 |
C4e | 0.8414 (16) | 0.8975 (14) | 0.3038 (7) | 0.052 (2) | 0.5 |
C5e | 0.8549 (11) | 0.7428 (10) | 0.2763 (6) | 0.043 (2) | 0.5 |
C6e | 0.9222 (15) | 0.6049 (11) | 0.1855 (7) | 0.053 (2) | 0.5 |
C7e | 0.9032 (9) | 0.7572 (7) | 0.2200 (5) | 0.0351 (16) | 0.5 |
H1c1e | 0.791219 | 0.805286 | 0.356632 | 0.0591* | 0.5 |
H1c3e | 0.900964 | 0.969735 | 0.238538 | 0.0522* | 0.5 |
H1c4e | 0.819856 | 0.946178 | 0.333036 | 0.0623* | 0.5 |
H1c5e | 0.843119 | 0.684771 | 0.286043 | 0.0522* | 0.5 |
H1c6e | 0.945061 | 0.567961 | 0.149862 | 0.0637* | 0.5 |
H2c6e | 0.95566 | 0.57741 | 0.21507 | 0.0637* | 0.5 |
H3c6e | 0.85527 | 0.610177 | 0.198984 | 0.0637* | 0.5 |
H1n1e | 1.02252 | 0.867994 | 0.149527 | 0.0437* | 0.5 |
H2n1e | 0.982483 | 0.804985 | 0.125819 | 0.0437* | 0.5 |
H3n1e | 0.934132 | 0.898351 | 0.131706 | 0.0437* | 0.5 |
O24f | 0.9199 (9) | 0.7100 (8) | 0.1902 (4) | 0.0434 (14) | 0.5 |
N1f | 0.9239 (16) | 0.8768 (10) | 0.1576 (7) | 0.0364 (14) | 0.5 |
C1f | 0.8398 (15) | 0.8259 (12) | 0.3370 (6) | 0.049 (2) | 0.5 |
C2f | 0.8947 (12) | 0.8593 (8) | 0.2199 (6) | 0.0356 (15) | 0.5 |
C3f | 0.8699 (16) | 0.9302 (10) | 0.2615 (7) | 0.0435 (18) | 0.5 |
C4f | 0.8424 (16) | 0.9125 (12) | 0.3201 (7) | 0.052 (2) | 0.5 |
C5f | 0.8649 (11) | 0.7549 (9) | 0.2955 (5) | 0.0435 (19) | 0.5 |
C6f | 0.9182 (15) | 0.6181 (9) | 0.2043 (7) | 0.053 (2) | 0.5 |
C7f | 0.8928 (9) | 0.7728 (7) | 0.2361 (5) | 0.0351 (15) | 0.5 |
H1c1f | 0.820498 | 0.814679 | 0.377867 | 0.0591* | 0.5 |
H1c3f | 0.871868 | 0.990366 | 0.249783 | 0.0522* | 0.5 |
H1c4f | 0.824838 | 0.960859 | 0.349342 | 0.0623* | 0.5 |
H1c5f | 0.863094 | 0.694708 | 0.307261 | 0.0522* | 0.5 |
H1c6f | 0.933619 | 0.581641 | 0.168615 | 0.0637* | 0.5 |
H2c6f | 0.963973 | 0.594535 | 0.22805 | 0.0637* | 0.5 |
H3c6f | 0.855768 | 0.616937 | 0.225617 | 0.0637* | 0.5 |
H1n1f | 0.975201 | 0.896295 | 0.152399 | 0.0437* | 0.5 |
H2n1f | 0.935326 | 0.826941 | 0.136692 | 0.0437* | 0.5 |
H3n1f | 0.878581 | 0.917438 | 0.146806 | 0.0437* | 0.5 |
O24g | 0.6230 (11) | 0.4067 (8) | 0.2229 (6) | 0.0434 (13) | 0.5 |
N1g | 0.5813 (18) | 0.4718 (12) | 0.3332 (7) | 0.0364 (13) | 0.5 |
C1g | 0.6521 (17) | 0.6373 (12) | 0.1930 (9) | 0.049 (2) | 0.5 |
C2g | 0.6059 (13) | 0.5294 (9) | 0.2846 (5) | 0.0356 (15) | 0.5 |
C3g | 0.6065 (18) | 0.6180 (12) | 0.2967 (7) | 0.0435 (18) | 0.5 |
C4g | 0.6300 (19) | 0.6713 (13) | 0.2503 (9) | 0.052 (2) | 0.5 |
C5g | 0.6513 (13) | 0.5489 (9) | 0.1808 (7) | 0.0435 (19) | 0.5 |
C6g | 0.6462 (17) | 0.3661 (11) | 0.1644 (6) | 0.053 (2) | 0.5 |
C7g | 0.6274 (10) | 0.4949 (7) | 0.2278 (5) | 0.0351 (15) | 0.5 |
H1c1g | 0.668341 | 0.675223 | 0.161199 | 0.0591* | 0.5 |
H1c3g | 0.590868 | 0.641724 | 0.33653 | 0.0522* | 0.5 |
H1c4g | 0.630882 | 0.732664 | 0.25797 | 0.0623* | 0.5 |
H1c5g | 0.666663 | 0.525274 | 0.140931 | 0.0522* | 0.5 |
H1c6g | 0.645488 | 0.303391 | 0.166673 | 0.0637* | 0.5 |
H2c6g | 0.600119 | 0.396899 | 0.142483 | 0.0637* | 0.5 |
H3c6g | 0.708403 | 0.370828 | 0.144922 | 0.0637* | 0.5 |
H1n1g | 0.523274 | 0.495098 | 0.352179 | 0.0437* | 0.5 |
H2n1g | 0.585763 | 0.417987 | 0.319263 | 0.0437* | 0.5 |
H3n1g | 0.620255 | 0.468219 | 0.356957 | 0.0437* | 0.5 |
O24h | 0.3853 (12) | 0.7679 (7) | 0.2214 (6) | 0.0434 (13) | 0.5 |
N1h | 0.4380 (19) | 0.7504 (13) | 0.1048 (7) | 0.0364 (13) | 0.5 |
C1h | 0.3992 (18) | 0.5245 (9) | 0.2043 (9) | 0.049 (2) | 0.5 |
C2h | 0.4246 (14) | 0.6720 (10) | 0.1392 (5) | 0.0356 (14) | 0.5 |
C3h | 0.4390 (19) | 0.5890 (12) | 0.1105 (7) | 0.0435 (17) | 0.5 |
C4h | 0.426 (2) | 0.5156 (11) | 0.1437 (9) | 0.052 (2) | 0.5 |
C5h | 0.3845 (14) | 0.6074 (9) | 0.2331 (7) | 0.0435 (18) | 0.5 |
C6h | 0.3582 (18) | 0.7824 (12) | 0.2844 (6) | 0.053 (2) | 0.5 |
C7h | 0.3975 (9) | 0.6818 (8) | 0.1994 (5) | 0.0351 (15) | 0.5 |
H1c1h | 0.390634 | 0.472855 | 0.22671 | 0.0591* | 0.5 |
H1c3h | 0.457474 | 0.582784 | 0.068362 | 0.0522* | 0.5 |
H1c4h | 0.436003 | 0.457734 | 0.124426 | 0.0623* | 0.5 |
H1c5h | 0.365836 | 0.613637 | 0.275172 | 0.0522* | 0.5 |
H1c6h | 0.356683 | 0.84356 | 0.294533 | 0.0637* | 0.5 |
H2c6h | 0.296157 | 0.772169 | 0.298092 | 0.0637* | 0.5 |
H3c6h | 0.403529 | 0.741235 | 0.302447 | 0.0637* | 0.5 |
H1n1h | 0.397594 | 0.762413 | 0.081688 | 0.0437* | 0.5 |
H2n1h | 0.428607 | 0.796958 | 0.128509 | 0.0437* | 0.5 |
H3n1h | 0.495743 | 0.738654 | 0.083859 | 0.0437* | 0.5 |
O24i | 0.1360 (11) | 0.7688 (8) | 0.2868 (5) | 0.0434 (12) | 0.5 |
N1i | 0.1180 (17) | 0.6097 (10) | 0.3284 (8) | 0.0364 (12) | 0.5 |
C1i | 0.1755 (18) | 0.6438 (14) | 0.1452 (7) | 0.049 (2) | 0.5 |
C2i | 0.1379 (12) | 0.6213 (8) | 0.2648 (6) | 0.0356 (14) | 0.5 |
C3i | 0.1479 (17) | 0.5487 (10) | 0.2268 (8) | 0.0435 (17) | 0.5 |
C4i | 0.1666 (19) | 0.5610 (14) | 0.1669 (8) | 0.052 (2) | 0.5 |
C5i | 0.1658 (13) | 0.7164 (10) | 0.1832 (6) | 0.0435 (17) | 0.5 |
C6i | 0.1433 (16) | 0.8574 (10) | 0.2676 (8) | 0.053 (2) | 0.5 |
C7i | 0.1469 (9) | 0.7039 (8) | 0.2439 (5) | 0.0351 (14) | 0.5 |
H1c1i | 0.188438 | 0.651266 | 0.103487 | 0.0591* | 0.5 |
H1c3i | 0.142001 | 0.491008 | 0.241777 | 0.0522* | 0.5 |
H1c4i | 0.173541 | 0.511389 | 0.14001 | 0.0623* | 0.5 |
H1c5i | 0.171966 | 0.77398 | 0.168118 | 0.0522* | 0.5 |
H1c6i | 0.129483 | 0.897915 | 0.301281 | 0.0637* | 0.5 |
H2c6i | 0.206632 | 0.853779 | 0.245797 | 0.0637* | 0.5 |
H3c6i | 0.098511 | 0.879684 | 0.242951 | 0.0637* | 0.5 |
H1n1i | 0.164881 | 0.569067 | 0.337705 | 0.0437* | 0.5 |
H2n1i | 0.111571 | 0.660858 | 0.346662 | 0.0437* | 0.5 |
H3n1i | 0.065661 | 0.592083 | 0.33857 | 0.0437* | 0.5 |
O24j | 0.1137 (11) | 0.7893 (8) | 0.2941 (5) | 0.0434 (12) | 0.5 |
N1j | 0.1010 (17) | 0.6282 (10) | 0.3346 (8) | 0.0364 (12) | 0.5 |
C1j | 0.1837 (18) | 0.6594 (14) | 0.1523 (7) | 0.049 (2) | 0.5 |
C2j | 0.1297 (12) | 0.6388 (8) | 0.2713 (7) | 0.0356 (14) | 0.5 |
C3j | 0.1507 (17) | 0.5642 (10) | 0.2330 (8) | 0.0435 (17) | 0.5 |
C4j | 0.1776 (19) | 0.5755 (13) | 0.1734 (7) | 0.052 (2) | 0.5 |
C5j | 0.1631 (13) | 0.7339 (10) | 0.1905 (6) | 0.0435 (17) | 0.5 |
C6j | 0.1175 (16) | 0.8790 (10) | 0.2755 (8) | 0.053 (2) | 0.5 |
C7j | 0.1359 (9) | 0.7224 (8) | 0.2510 (5) | 0.0351 (14) | 0.5 |
H1c1j | 0.202492 | 0.666094 | 0.110725 | 0.0591* | 0.5 |
H1c3j | 0.146706 | 0.505882 | 0.247626 | 0.0522* | 0.5 |
H1c4j | 0.192196 | 0.524576 | 0.146294 | 0.0623* | 0.5 |
H1c5j | 0.167334 | 0.792171 | 0.175889 | 0.0522* | 0.5 |
H1c6j | 0.095924 | 0.920495 | 0.309054 | 0.0637* | 0.5 |
H2c6j | 0.181883 | 0.8788 | 0.257391 | 0.0637* | 0.5 |
H3c6j | 0.077313 | 0.897417 | 0.247719 | 0.0637* | 0.5 |
H1n1j | 0.14711 | 0.590674 | 0.346916 | 0.0437* | 0.5 |
H2n1j | 0.088208 | 0.680488 | 0.353016 | 0.0437* | 0.5 |
H3n1j | 0.050629 | 0.607134 | 0.34157 | 0.0437* | 0.5 |
O24k | 0.6169 (11) | 0.4299 (8) | 0.2277 (6) | 0.0434 (13) | 0.5 |
N1k | 0.5830 (18) | 0.4848 (12) | 0.3398 (7) | 0.0364 (13) | 0.5 |
C1k | 0.6471 (17) | 0.6616 (12) | 0.2053 (9) | 0.049 (2) | 0.5 |
C2k | 0.6052 (13) | 0.5463 (9) | 0.2932 (5) | 0.0356 (15) | 0.5 |
C3k | 0.6077 (18) | 0.6332 (12) | 0.3082 (7) | 0.0435 (18) | 0.5 |
C4k | 0.6290 (19) | 0.6903 (13) | 0.2636 (9) | 0.052 (2) | 0.5 |
C5k | 0.6443 (13) | 0.5749 (9) | 0.1903 (7) | 0.0435 (19) | 0.5 |
C6k | 0.6358 (17) | 0.3947 (12) | 0.1680 (6) | 0.053 (2) | 0.5 |
C7k | 0.6227 (9) | 0.5170 (7) | 0.2355 (5) | 0.0351 (15) | 0.5 |
H1c1k | 0.661739 | 0.702141 | 0.174848 | 0.0591* | 0.5 |
H1c3k | 0.594931 | 0.653232 | 0.348663 | 0.0522* | 0.5 |
H1c4k | 0.631137 | 0.750571 | 0.273235 | 0.0623* | 0.5 |
H1c5k | 0.656862 | 0.554998 | 0.149783 | 0.0522* | 0.5 |
H1c6k | 0.634538 | 0.332186 | 0.168196 | 0.0637* | 0.5 |
H2c6k | 0.588163 | 0.428553 | 0.148218 | 0.0637* | 0.5 |
H3c6k | 0.697465 | 0.400071 | 0.147789 | 0.0637* | 0.5 |
H1n1k | 0.525908 | 0.507268 | 0.360456 | 0.0437* | 0.5 |
H2n1k | 0.585907 | 0.432462 | 0.324154 | 0.0437* | 0.5 |
H3n1k | 0.623934 | 0.477994 | 0.362521 | 0.0437* | 0.5 |
O24l | 0.3922 (12) | 0.7831 (8) | 0.2289 (6) | 0.0434 (13) | 0.5 |
N1l | 0.4348 (19) | 0.7623 (13) | 0.1123 (7) | 0.0364 (13) | 0.5 |
C1l | 0.3913 (18) | 0.5425 (9) | 0.2167 (9) | 0.049 (2) | 0.5 |
C2l | 0.4197 (14) | 0.6859 (10) | 0.1484 (5) | 0.0356 (14) | 0.5 |
C3l | 0.4272 (19) | 0.6033 (12) | 0.1213 (7) | 0.0435 (17) | 0.5 |
C4l | 0.413 (2) | 0.5318 (11) | 0.1561 (9) | 0.052 (2) | 0.5 |
C5l | 0.3834 (14) | 0.6251 (9) | 0.2439 (7) | 0.0435 (18) | 0.5 |
C6l | 0.3708 (18) | 0.7993 (12) | 0.2917 (6) | 0.053 (2) | 0.5 |
C7l | 0.3979 (9) | 0.6975 (8) | 0.2086 (5) | 0.0351 (14) | 0.5 |
H1c1l | 0.381545 | 0.492153 | 0.240328 | 0.0591* | 0.5 |
H1c3l | 0.442054 | 0.595872 | 0.079184 | 0.0522* | 0.5 |
H1c4l | 0.418047 | 0.474179 | 0.138022 | 0.0623* | 0.5 |
H1c5l | 0.368362 | 0.632485 | 0.286029 | 0.0522* | 0.5 |
H1c6l | 0.373599 | 0.859636 | 0.300494 | 0.0637* | 0.5 |
H2c6l | 0.308047 | 0.792321 | 0.307834 | 0.0637* | 0.5 |
H3c6l | 0.416448 | 0.756562 | 0.308756 | 0.0637* | 0.5 |
H1n1l | 0.392089 | 0.775932 | 0.090695 | 0.0437* | 0.5 |
H2n1l | 0.429856 | 0.808812 | 0.134977 | 0.0437* | 0.5 |
H3n1l | 0.491272 | 0.74768 | 0.089654 | 0.0437* | 0.5 |
O24m | 0.5927 (12) | 0.2004 (7) | 0.3524 (5) | 0.0434 (12) | 0.5 |
N1m | 0.5324 (19) | 0.2950 (12) | 0.4541 (7) | 0.0364 (12) | 0.5 |
C1m | 0.616 (2) | 0.0099 (11) | 0.4527 (8) | 0.0493 (19) | 0.5 |
C2m | 0.5613 (13) | 0.1961 (9) | 0.4538 (5) | 0.0356 (14) | 0.5 |
C3m | 0.5575 (19) | 0.1526 (11) | 0.5068 (7) | 0.0435 (16) | 0.5 |
C4m | 0.585 (2) | 0.0592 (11) | 0.5056 (8) | 0.052 (2) | 0.5 |
C5m | 0.6200 (14) | 0.0533 (9) | 0.3997 (6) | 0.0435 (17) | 0.5 |
C6m | 0.6232 (18) | 0.1538 (10) | 0.2956 (6) | 0.053 (2) | 0.5 |
C7m | 0.5922 (9) | 0.1480 (7) | 0.4009 (5) | 0.0351 (14) | 0.5 |
H1c1m | 0.634655 | −0.054997 | 0.452683 | 0.0591* | 0.5 |
H1c3m | 0.536264 | 0.186818 | 0.543537 | 0.0522* | 0.5 |
H1c4m | 0.582564 | 0.028117 | 0.541918 | 0.0623* | 0.5 |
H1c5m | 0.641449 | 0.019024 | 0.363005 | 0.0522* | 0.5 |
H1c6m | 0.615787 | 0.196979 | 0.265364 | 0.0637* | 0.5 |
H2c6m | 0.68889 | 0.121245 | 0.290257 | 0.0637* | 0.5 |
H3c6m | 0.585135 | 0.112005 | 0.293212 | 0.0637* | 0.5 |
H1n1m | 0.569612 | 0.31713 | 0.470922 | 0.0437* | 0.5 |
H2n1m | 0.536485 | 0.312727 | 0.418126 | 0.0437* | 0.5 |
H3n1m | 0.473901 | 0.314083 | 0.473534 | 0.0437* | 0.5 |
O24n | 0.5835 (12) | 0.2248 (7) | 0.3520 (5) | 0.0434 (12) | 0.5 |
N1n | 0.5282 (19) | 0.2923 (12) | 0.4620 (7) | 0.0364 (12) | 0.5 |
C1n | 0.626 (2) | 0.0100 (10) | 0.4293 (9) | 0.0493 (19) | 0.5 |
C2n | 0.5622 (13) | 0.1944 (9) | 0.4508 (5) | 0.0356 (13) | 0.5 |
C3n | 0.5658 (19) | 0.1375 (11) | 0.4979 (6) | 0.0435 (16) | 0.5 |
C4n | 0.598 (2) | 0.0452 (11) | 0.4865 (8) | 0.052 (2) | 0.5 |
C5n | 0.6230 (14) | 0.0667 (9) | 0.3822 (6) | 0.0435 (17) | 0.5 |
C6n | 0.6109 (18) | 0.1932 (10) | 0.2912 (6) | 0.053 (2) | 0.5 |
C7n | 0.5904 (9) | 0.1603 (7) | 0.3938 (5) | 0.0351 (13) | 0.5 |
H1c1n | 0.648436 | −0.054331 | 0.422161 | 0.0591* | 0.5 |
H1c3n | 0.54638 | 0.161927 | 0.537648 | 0.0522* | 0.5 |
H1c4n | 0.60073 | 0.005003 | 0.518651 | 0.0623* | 0.5 |
H1c5n | 0.642674 | 0.042237 | 0.342479 | 0.0522* | 0.5 |
H1c6n | 0.598321 | 0.243807 | 0.266441 | 0.0637* | 0.5 |
H2c6n | 0.67758 | 0.163494 | 0.282058 | 0.0637* | 0.5 |
H3c6n | 0.574919 | 0.151413 | 0.284735 | 0.0637* | 0.5 |
H1n1n | 0.565771 | 0.310878 | 0.480485 | 0.0437* | 0.5 |
H2n1n | 0.527893 | 0.319118 | 0.428694 | 0.0437* | 0.5 |
H3n1n | 0.470771 | 0.305223 | 0.483431 | 0.0437* | 0.5 |
O24o | 1.0798 (17) | 0.5427 (18) | 0.0076 (6) | 0.0434 (13) | 0.5 |
N1o | 0.929 (3) | 0.681 (3) | 0.0421 (9) | 0.0364 (13) | 0.5 |
C1o | 0.894 (3) | 0.432 (3) | −0.0127 (9) | 0.049 (2) | 0.5 |
C2o | 0.9162 (15) | 0.5945 (15) | 0.0231 (7) | 0.0356 (15) | 0.5 |
C3o | 0.825 (3) | 0.585 (3) | 0.0237 (9) | 0.0435 (18) | 0.5 |
C4o | 0.815 (3) | 0.503 (3) | 0.0055 (10) | 0.052 (2) | 0.5 |
C5o | 0.9845 (18) | 0.4406 (19) | −0.0131 (7) | 0.0435 (18) | 0.5 |
C6o | 1.165 (3) | 0.472 (3) | −0.0113 (8) | 0.053 (2) | 0.5 |
C7o | 0.9950 (7) | 0.5237 (6) | 0.0053 (5) | 0.0351 (15) | 0.5 |
H1c1o | 0.885266 | 0.375094 | −0.025242 | 0.0591* | 0.5 |
H1c3o | 0.770567 | 0.635036 | 0.036434 | 0.0522* | 0.5 |
H1c4o | 0.75252 | 0.496014 | 0.005516 | 0.0623* | 0.5 |
H1c5o | 1.039179 | 0.390743 | −0.025785 | 0.0522* | 0.5 |
H1c6o | 1.219866 | 0.494183 | −0.010585 | 0.0637* | 0.5 |
H2c6o | 1.164754 | 0.42213 | 0.01475 | 0.0637* | 0.5 |
H3c6o | 1.168097 | 0.450829 | −0.050562 | 0.0637* | 0.5 |
H1n1o | 0.900107 | 0.692928 | 0.078808 | 0.0437* | 0.5 |
H2n1o | 0.988971 | 0.677351 | 0.038291 | 0.0437* | 0.5 |
H3n1o | 0.903951 | 0.723591 | 0.020536 | 0.0437* | 0.5 |
Mo1a | 0.86614 (5) | 0.51382 (4) | 0.37349 (3) | 0.02031 (17) | |
Mo2a | 0.79126 (8) | 0.32862 (7) | 0.42017 (5) | 0.02338 (18) | |
Mo3a | 0.69788 (8) | 0.35455 (7) | 0.56717 (5) | 0.02366 (19) | |
Mo4a | 0.75855 (8) | 0.68570 (7) | 0.49410 (5) | 0.02353 (18) | |
Mo5a | 0.69624 (8) | 0.56496 (7) | 0.61221 (5) | 0.02499 (19) | |
P1a | 0.88531 (15) | 0.44883 (14) | 0.50963 (9) | 0.0200 (5) | |
P2a | 0.64567 (15) | 0.53115 (17) | 0.47560 (10) | 0.0256 (5) | |
O1a | 0.8254 (4) | 0.6222 (4) | 0.4210 (2) | 0.0228 (16) | |
O2a | 0.7254 (4) | 0.3216 (4) | 0.3685 (3) | 0.032 (2) | |
O3a | 0.8633 (4) | 0.2231 (4) | 0.4218 (3) | 0.0315 (19) | |
O4a | 0.7032 (5) | 0.7886 (4) | 0.4731 (3) | 0.0351 (19) | |
O5a | 0.9538 (4) | 0.4153 (4) | 0.5531 (2) | 0.0247 (16) | |
O6a | 0.9779 (4) | 0.5189 (4) | 0.3378 (3) | 0.0274 (17) | |
O7a | 0.7659 (5) | 0.5845 (5) | 0.6584 (3) | 0.0339 (19) | |
O8a | 0.7369 (3) | 0.4786 (3) | 0.4320 (2) | 0.0218 (15) | |
O9a | 0.5599 (4) | 0.5097 (4) | 0.4569 (3) | 0.0298 (18) | |
O10a | 0.7357 (4) | 0.4330 (3) | 0.6172 (2) | 0.0242 (15) | |
O11a | 0.8151 (3) | 0.5391 (3) | 0.5338 (2) | 0.0221 (14) | |
O12a | 0.6875 (4) | 0.3307 (4) | 0.4882 (2) | 0.0271 (18) | |
O13a | 0.8008 (4) | 0.5393 (4) | 0.3208 (3) | 0.0311 (19) | |
O14a | 0.9444 (3) | 0.4672 (4) | 0.4510 (2) | 0.0212 (14) | |
O15a | 0.6466 (4) | 0.5009 (3) | 0.5399 (2) | 0.0233 (15) | |
O16a | 0.5850 (4) | 0.3588 (4) | 0.6034 (3) | 0.033 (2) | |
O17a | 0.8360 (3) | 0.3729 (3) | 0.5047 (2) | 0.0209 (14) | |
O18a | 0.8854 (4) | 0.3832 (4) | 0.3744 (2) | 0.0275 (18) | |
O19a | 0.7630 (5) | 0.2509 (4) | 0.5852 (3) | 0.034 (2) | |
O20a | 0.8535 (4) | 0.7089 (4) | 0.5174 (3) | 0.0292 (18) | |
O21a | 0.6801 (4) | 0.6750 (4) | 0.5706 (2) | 0.0293 (18) | |
O22a | 0.6407 (4) | 0.6314 (4) | 0.4715 (3) | 0.0274 (17) | |
O23a | 0.5831 (5) | 0.5856 (4) | 0.6545 (3) | 0.037 (2) | |
Mo1b | 0.33515 (12) | 0.10535 (10) | −0.10590 (6) | 0.02031 (18) | 0.567 (2) |
Mo2b | 0.29590 (12) | −0.09900 (11) | −0.12710 (8) | 0.02338 (18) | 0.567 (2) |
Mo3b | 0.23039 (12) | −0.18659 (13) | 0.00580 (8) | 0.0237 (2) | 0.567 (2) |
Mo4b | 0.23100 (14) | 0.16836 (12) | 0.05051 (9) | 0.02353 (18) | 0.567 (2) |
Mo5b | 0.20970 (13) | −0.02944 (13) | 0.11226 (9) | 0.02499 (19) | 0.567 (2) |
P1b | 0.38974 (16) | −0.05211 (15) | −0.00819 (10) | 0.0200 (5) | 0.567 (2) |
P2b | 0.13747 (17) | 0.0379 (2) | −0.01849 (13) | 0.0256 (5) | 0.567 (2) |
O1b | 0.2903 (4) | 0.1670 (4) | −0.0312 (2) | 0.0228 (16) | 0.567 (2) |
O2b | 0.2221 (5) | −0.0702 (5) | −0.1761 (3) | 0.032 (2) | 0.567 (2) |
O3b | 0.3808 (5) | −0.1928 (4) | −0.1573 (3) | 0.031 (2) | 0.567 (2) |
O4b | 0.1589 (5) | 0.2746 (4) | 0.0637 (3) | 0.035 (2) | 0.567 (2) |
O5b | 0.4699 (4) | −0.1115 (4) | 0.0208 (2) | 0.0247 (17) | 0.567 (2) |
O6b | 0.4367 (4) | 0.1403 (4) | −0.1318 (3) | 0.0274 (17) | 0.567 (2) |
O7b | 0.2845 (5) | −0.0428 (5) | 0.1607 (3) | 0.0339 (19) | 0.567 (2) |
O8b | 0.2251 (4) | 0.0258 (3) | −0.0704 (2) | 0.0218 (16) | 0.567 (2) |
O9b | 0.0527 (4) | 0.0289 (4) | −0.0442 (3) | 0.0298 (18) | 0.567 (2) |
O10b | 0.2669 (4) | −0.1508 (4) | 0.0754 (2) | 0.0242 (16) | 0.567 (2) |
O11b | 0.3138 (3) | 0.0091 (3) | 0.0396 (2) | 0.0221 (15) | 0.567 (2) |
O12b | 0.2077 (4) | −0.1509 (4) | −0.0706 (3) | 0.0271 (18) | 0.567 (2) |
O13b | 0.2573 (5) | 0.1643 (4) | −0.1454 (3) | 0.031 (2) | 0.567 (2) |
O14b | 0.4334 (3) | 0.0096 (4) | −0.0514 (2) | 0.0212 (14) | 0.567 (2) |
O15b | 0.1552 (4) | −0.0364 (4) | 0.0276 (2) | 0.0233 (16) | 0.567 (2) |
O16b | 0.1266 (5) | −0.2136 (5) | 0.0352 (3) | 0.033 (2) | 0.567 (2) |
O17b | 0.3506 (4) | −0.1190 (3) | −0.0383 (2) | 0.0209 (15) | 0.567 (2) |
O18b | 0.3716 (4) | −0.0126 (4) | −0.1464 (2) | 0.0275 (18) | 0.567 (2) |
O19b | 0.3115 (5) | −0.2909 (4) | −0.0099 (3) | 0.034 (2) | 0.567 (2) |
O20b | 0.3254 (4) | 0.1760 (4) | 0.0810 (3) | 0.0292 (19) | 0.567 (2) |
O21b | 0.1709 (4) | 0.0998 (4) | 0.1110 (3) | 0.0293 (18) | 0.567 (2) |
O22b | 0.1184 (4) | 0.1312 (4) | 0.0100 (3) | 0.0274 (18) | 0.567 (2) |
O23b | 0.1046 (5) | −0.0460 (5) | 0.1521 (3) | 0.037 (2) | 0.567 (2) |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Mo1bx | 0.0210 (3) | 0.0230 (3) | 0.0162 (2) | −0.0051 (2) | −0.00310 (18) | 0.0016 (2) |
Mo4bx | 0.0240 (3) | 0.0229 (3) | 0.0205 (3) | −0.0029 (2) | −0.0013 (2) | 0.0009 (2) |
Mo5bx | 0.0293 (3) | 0.0267 (3) | 0.0164 (3) | −0.0093 (2) | 0.0041 (2) | −0.0036 (2) |
Mo3bx | 0.0228 (3) | 0.0278 (3) | 0.0190 (3) | −0.0084 (2) | 0.0015 (2) | −0.0015 (2) |
Mo2bx | 0.0252 (3) | 0.0296 (3) | 0.0157 (3) | −0.0078 (2) | −0.0039 (2) | 0.0008 (2) |
P1bx | 0.0196 (7) | 0.0263 (7) | 0.0139 (7) | −0.0070 (6) | −0.0017 (6) | 0.0005 (6) |
P2bx | 0.0171 (7) | 0.0349 (9) | 0.0232 (8) | −0.0057 (6) | −0.0016 (6) | −0.0008 (7) |
O3bx | 0.034 (3) | 0.033 (3) | 0.027 (3) | −0.010 (2) | −0.003 (2) | −0.007 (2) |
O5bx | 0.028 (2) | 0.027 (2) | 0.022 (3) | −0.0078 (19) | −0.011 (2) | 0.001 (2) |
O14bx | 0.0165 (19) | 0.029 (2) | 0.016 (2) | −0.0049 (16) | 0.0003 (16) | 0.0009 (18) |
O15bx | 0.022 (2) | 0.028 (2) | 0.017 (2) | −0.0054 (19) | 0.0009 (18) | −0.0043 (19) |
O1bx | 0.026 (3) | 0.028 (2) | 0.018 (2) | −0.0123 (19) | −0.0035 (19) | 0.0021 (18) |
O6bx | 0.032 (3) | 0.030 (3) | 0.021 (2) | −0.008 (2) | −0.0068 (19) | 0.007 (2) |
O23bx | 0.047 (3) | 0.034 (3) | 0.024 (3) | −0.014 (2) | 0.008 (2) | −0.004 (2) |
O17bx | 0.026 (2) | 0.028 (2) | 0.011 (2) | −0.0126 (18) | −0.0019 (18) | 0.0024 (18) |
O18bx | 0.031 (3) | 0.027 (3) | 0.024 (2) | 0.000 (2) | −0.013 (2) | −0.004 (2) |
O11bx | 0.019 (2) | 0.032 (2) | 0.013 (2) | −0.0061 (18) | 0.0007 (16) | 0.0005 (18) |
O10bx | 0.029 (2) | 0.024 (2) | 0.017 (2) | −0.0079 (19) | 0.0029 (19) | 0.0011 (18) |
O13bx | 0.031 (3) | 0.035 (3) | 0.029 (3) | −0.007 (2) | −0.012 (2) | 0.004 (2) |
O7bx | 0.048 (3) | 0.036 (3) | 0.019 (2) | −0.020 (2) | 0.000 (2) | −0.003 (2) |
O19bx | 0.028 (3) | 0.038 (3) | 0.034 (3) | −0.009 (2) | −0.003 (2) | −0.002 (2) |
O16bx | 0.033 (3) | 0.036 (3) | 0.030 (3) | −0.015 (2) | 0.000 (2) | 0.002 (2) |
O20bx | 0.038 (3) | 0.026 (2) | 0.022 (3) | −0.010 (2) | 0.001 (2) | 0.000 (2) |
O12bx | 0.024 (3) | 0.034 (3) | 0.024 (3) | −0.010 (2) | −0.002 (2) | −0.003 (2) |
O21bx | 0.028 (3) | 0.027 (3) | 0.029 (3) | −0.005 (2) | 0.000 (2) | −0.007 (2) |
O4bx | 0.043 (3) | 0.026 (3) | 0.032 (3) | −0.007 (2) | −0.002 (2) | 0.004 (2) |
O2bx | 0.035 (3) | 0.038 (3) | 0.025 (3) | −0.012 (2) | −0.008 (2) | −0.005 (2) |
O22bx | 0.016 (2) | 0.028 (2) | 0.019 (2) | −0.0074 (18) | 0.0028 (18) | −0.0012 (19) |
O9bx | 0.020 (2) | 0.039 (3) | 0.029 (3) | −0.007 (2) | −0.005 (2) | 0.003 (2) |
O8bx | 0.018 (2) | 0.033 (3) | 0.029 (3) | −0.004 (2) | −0.003 (2) | −0.002 (2) |
O24a | 0.0464 (18) | 0.0466 (19) | 0.0339 (16) | −0.0068 (15) | −0.0067 (13) | −0.0006 (13) |
N1a | 0.0326 (17) | 0.0444 (19) | 0.0318 (17) | −0.0114 (14) | −0.0032 (14) | −0.0031 (14) |
C1a | 0.046 (3) | 0.039 (3) | 0.060 (3) | −0.009 (2) | −0.006 (2) | −0.011 (2) |
C2a | 0.0291 (18) | 0.043 (2) | 0.036 (2) | −0.0129 (16) | −0.0039 (15) | −0.0058 (17) |
C3a | 0.041 (2) | 0.049 (3) | 0.040 (2) | −0.0126 (19) | −0.0050 (19) | 0.001 (2) |
C4a | 0.059 (3) | 0.044 (3) | 0.053 (3) | −0.013 (2) | −0.011 (2) | 0.002 (2) |
C5a | 0.039 (2) | 0.055 (3) | 0.036 (2) | −0.015 (2) | −0.0052 (18) | −0.006 (2) |
C6a | 0.056 (3) | 0.061 (4) | 0.036 (2) | −0.007 (3) | −0.005 (2) | −0.002 (2) |
C7a | 0.0275 (18) | 0.041 (2) | 0.034 (2) | −0.0072 (16) | −0.0025 (15) | −0.0065 (17) |
O24b | 0.0373 (18) | 0.0379 (16) | 0.052 (3) | −0.0047 (12) | −0.0075 (16) | 0.0030 (15) |
N1b | 0.038 (2) | 0.0340 (16) | 0.033 (3) | −0.0023 (13) | −0.0074 (17) | 0.0032 (15) |
C1b | 0.068 (4) | 0.036 (3) | 0.047 (4) | −0.016 (2) | −0.013 (3) | −0.001 (2) |
C2b | 0.043 (2) | 0.0331 (19) | 0.027 (3) | −0.0039 (15) | −0.0065 (19) | 0.0016 (17) |
C3b | 0.043 (3) | 0.043 (2) | 0.042 (3) | −0.0066 (18) | −0.011 (2) | 0.004 (2) |
C4b | 0.052 (3) | 0.049 (3) | 0.057 (4) | −0.015 (2) | −0.014 (3) | −0.002 (2) |
C5b | 0.046 (3) | 0.039 (2) | 0.038 (3) | 0.0000 (18) | −0.006 (2) | 0.001 (2) |
C6b | 0.043 (3) | 0.044 (3) | 0.066 (5) | −0.001 (2) | −0.009 (3) | 0.006 (3) |
C7b | 0.042 (2) | 0.0291 (19) | 0.031 (3) | −0.0043 (15) | −0.0057 (19) | 0.0047 (17) |
O24c | 0.050 (2) | 0.0368 (17) | 0.0416 (17) | −0.0105 (14) | −0.0047 (14) | −0.0037 (12) |
N1c | 0.032 (2) | 0.0367 (19) | 0.0391 (17) | −0.0068 (15) | −0.0046 (14) | −0.0065 (13) |
C1c | 0.047 (3) | 0.067 (3) | 0.034 (2) | −0.014 (3) | −0.009 (2) | −0.001 (2) |
C2c | 0.027 (2) | 0.042 (2) | 0.0374 (19) | −0.0082 (17) | −0.0059 (15) | −0.0065 (15) |
C3c | 0.040 (3) | 0.042 (3) | 0.047 (2) | −0.007 (2) | −0.0065 (18) | −0.0028 (18) |
C4c | 0.058 (4) | 0.052 (3) | 0.047 (2) | −0.012 (3) | −0.015 (2) | 0.005 (2) |
C5c | 0.038 (3) | 0.044 (3) | 0.047 (2) | −0.010 (2) | −0.006 (2) | −0.0107 (19) |
C6c | 0.062 (4) | 0.041 (3) | 0.051 (3) | −0.011 (2) | −0.002 (3) | −0.008 (2) |
C7c | 0.029 (2) | 0.041 (2) | 0.033 (2) | −0.0089 (17) | −0.0013 (15) | −0.0068 (15) |
O24d | 0.052 (3) | 0.0460 (19) | 0.0342 (16) | −0.0158 (18) | −0.0082 (16) | −0.0004 (14) |
N1d | 0.033 (3) | 0.0441 (19) | 0.0326 (18) | −0.0101 (18) | −0.0079 (17) | −0.0036 (14) |
C1d | 0.046 (4) | 0.038 (2) | 0.062 (3) | −0.007 (2) | −0.011 (3) | −0.011 (2) |
C2d | 0.027 (3) | 0.042 (2) | 0.037 (2) | −0.007 (2) | −0.0064 (19) | −0.0063 (17) |
C3d | 0.042 (3) | 0.049 (2) | 0.040 (3) | −0.012 (2) | −0.011 (2) | 0.000 (2) |
C4d | 0.057 (4) | 0.044 (3) | 0.053 (3) | −0.009 (3) | −0.011 (3) | 0.002 (2) |
C5d | 0.038 (4) | 0.055 (3) | 0.037 (2) | −0.011 (3) | −0.006 (2) | −0.007 (2) |
C6d | 0.067 (5) | 0.060 (3) | 0.037 (3) | −0.023 (3) | −0.011 (3) | −0.001 (2) |
C7d | 0.031 (3) | 0.041 (2) | 0.035 (2) | −0.012 (2) | −0.0071 (19) | −0.0065 (17) |
O24e | 0.052 (3) | 0.0387 (17) | 0.0425 (16) | −0.0168 (16) | −0.0110 (16) | 0.0063 (12) |
N1e | 0.035 (3) | 0.0354 (18) | 0.0409 (16) | −0.0099 (17) | −0.0108 (15) | 0.0095 (13) |
C1e | 0.044 (4) | 0.064 (3) | 0.036 (2) | −0.011 (3) | −0.003 (2) | 0.007 (2) |
C2e | 0.028 (3) | 0.040 (2) | 0.0397 (18) | −0.0084 (19) | −0.0093 (17) | 0.0100 (15) |
C3e | 0.044 (4) | 0.040 (3) | 0.047 (2) | −0.010 (2) | −0.012 (2) | 0.0063 (17) |
C4e | 0.054 (4) | 0.052 (3) | 0.047 (2) | −0.012 (3) | −0.004 (2) | −0.002 (2) |
C5e | 0.040 (4) | 0.044 (3) | 0.050 (2) | −0.015 (2) | −0.012 (2) | 0.0136 (19) |
C6e | 0.069 (5) | 0.044 (3) | 0.053 (3) | −0.022 (3) | −0.016 (3) | 0.012 (2) |
C7e | 0.033 (3) | 0.040 (2) | 0.0349 (19) | −0.0107 (19) | −0.0114 (18) | 0.0110 (15) |
O24f | 0.052 (3) | 0.0374 (17) | 0.0434 (18) | −0.0144 (16) | −0.0133 (17) | 0.0071 (13) |
N1f | 0.033 (3) | 0.0355 (18) | 0.0411 (18) | −0.0085 (16) | −0.0101 (17) | 0.0091 (13) |
C1f | 0.046 (4) | 0.065 (3) | 0.034 (2) | −0.012 (3) | −0.006 (2) | 0.007 (2) |
C2f | 0.027 (3) | 0.041 (2) | 0.039 (2) | −0.0082 (18) | −0.0076 (19) | 0.0094 (16) |
C3f | 0.042 (3) | 0.040 (3) | 0.048 (2) | −0.009 (2) | −0.012 (2) | 0.0057 (18) |
C4f | 0.056 (4) | 0.052 (3) | 0.045 (2) | −0.013 (3) | −0.006 (2) | −0.001 (2) |
C5f | 0.039 (4) | 0.043 (3) | 0.050 (3) | −0.013 (2) | −0.011 (2) | 0.014 (2) |
C6f | 0.068 (5) | 0.042 (3) | 0.055 (3) | −0.018 (3) | −0.020 (3) | 0.013 (2) |
C7f | 0.032 (3) | 0.040 (2) | 0.036 (2) | −0.0096 (18) | −0.0116 (19) | 0.0105 (16) |
O24g | 0.051 (3) | 0.0438 (18) | 0.0340 (16) | −0.0085 (16) | −0.0085 (16) | −0.0003 (12) |
N1g | 0.033 (3) | 0.0457 (19) | 0.0304 (17) | −0.0087 (16) | −0.0083 (17) | 0.0015 (13) |
C1g | 0.048 (4) | 0.053 (3) | 0.050 (3) | −0.018 (2) | −0.012 (3) | 0.019 (2) |
C2g | 0.027 (3) | 0.047 (2) | 0.033 (2) | −0.0095 (17) | −0.0072 (19) | 0.0049 (15) |
C3g | 0.043 (3) | 0.049 (2) | 0.040 (2) | −0.011 (2) | −0.011 (2) | 0.0004 (18) |
C4g | 0.058 (4) | 0.048 (3) | 0.052 (3) | −0.018 (3) | −0.010 (3) | 0.004 (2) |
C5g | 0.038 (3) | 0.058 (3) | 0.034 (2) | −0.010 (2) | −0.007 (2) | 0.0016 (18) |
C6g | 0.065 (5) | 0.055 (3) | 0.036 (2) | −0.009 (3) | −0.012 (3) | −0.002 (2) |
C7g | 0.031 (3) | 0.044 (2) | 0.030 (2) | −0.0064 (17) | −0.0090 (19) | 0.0061 (15) |
O24h | 0.049 (2) | 0.049 (2) | 0.0341 (16) | −0.0170 (18) | −0.0054 (14) | 0.0019 (14) |
N1h | 0.031 (2) | 0.044 (2) | 0.0321 (18) | −0.0087 (17) | −0.0044 (15) | 0.0047 (15) |
C1h | 0.047 (3) | 0.042 (3) | 0.060 (3) | −0.014 (2) | −0.011 (2) | 0.016 (2) |
C2h | 0.027 (2) | 0.042 (2) | 0.036 (2) | −0.0064 (19) | −0.0071 (16) | 0.0084 (18) |
C3h | 0.039 (3) | 0.049 (3) | 0.040 (3) | −0.010 (2) | −0.005 (2) | 0.001 (2) |
C4h | 0.058 (3) | 0.044 (3) | 0.053 (3) | −0.012 (3) | −0.011 (3) | 0.003 (2) |
C5h | 0.038 (3) | 0.056 (3) | 0.036 (2) | −0.011 (2) | −0.007 (2) | 0.009 (2) |
C6h | 0.060 (4) | 0.064 (4) | 0.036 (3) | −0.024 (3) | −0.003 (2) | 0.002 (2) |
C7h | 0.028 (2) | 0.043 (3) | 0.034 (2) | −0.0117 (19) | −0.0054 (16) | 0.0081 (18) |
O24i | 0.048 (2) | 0.0375 (18) | 0.0433 (18) | −0.0124 (15) | −0.0045 (15) | 0.0057 (14) |
N1i | 0.0324 (19) | 0.038 (2) | 0.0400 (18) | −0.0118 (16) | −0.0076 (15) | 0.0088 (14) |
C1i | 0.047 (3) | 0.067 (4) | 0.033 (3) | −0.015 (3) | −0.007 (2) | 0.004 (2) |
C2i | 0.028 (2) | 0.043 (2) | 0.037 (2) | −0.0102 (17) | −0.0096 (16) | 0.0096 (17) |
C3i | 0.041 (2) | 0.044 (3) | 0.047 (2) | −0.014 (2) | −0.0086 (19) | 0.005 (2) |
C4i | 0.059 (3) | 0.053 (4) | 0.045 (3) | −0.016 (3) | −0.012 (2) | 0.000 (2) |
C5i | 0.039 (3) | 0.045 (3) | 0.048 (3) | −0.013 (2) | −0.011 (2) | 0.014 (2) |
C6i | 0.059 (4) | 0.043 (3) | 0.055 (3) | −0.017 (3) | −0.003 (3) | 0.010 (2) |
C7i | 0.0280 (19) | 0.041 (2) | 0.035 (2) | −0.0095 (17) | −0.0040 (16) | 0.0083 (17) |
O24j | 0.0470 (19) | 0.0374 (18) | 0.0443 (19) | −0.0120 (15) | −0.0045 (15) | 0.0060 (14) |
N1j | 0.0332 (18) | 0.038 (2) | 0.040 (2) | −0.0129 (15) | −0.0089 (15) | 0.0088 (15) |
C1j | 0.047 (3) | 0.068 (4) | 0.033 (3) | −0.016 (3) | −0.006 (2) | 0.004 (2) |
C2j | 0.0294 (19) | 0.043 (2) | 0.037 (2) | −0.0121 (17) | −0.0110 (16) | 0.0096 (17) |
C3j | 0.041 (2) | 0.043 (3) | 0.048 (3) | −0.014 (2) | −0.010 (2) | 0.005 (2) |
C4j | 0.059 (3) | 0.052 (3) | 0.045 (3) | −0.015 (3) | −0.010 (2) | −0.001 (2) |
C5j | 0.040 (2) | 0.046 (3) | 0.048 (3) | −0.014 (2) | −0.012 (2) | 0.014 (2) |
C6j | 0.058 (3) | 0.043 (3) | 0.057 (3) | −0.016 (2) | −0.003 (3) | 0.010 (2) |
C7j | 0.0282 (18) | 0.042 (2) | 0.036 (2) | −0.0110 (16) | −0.0053 (16) | 0.0087 (17) |
O24k | 0.051 (3) | 0.0439 (18) | 0.0340 (16) | −0.0087 (16) | −0.0090 (16) | 0.0003 (12) |
N1k | 0.033 (2) | 0.0455 (18) | 0.0306 (18) | −0.0085 (15) | −0.0084 (17) | 0.0024 (13) |
C1k | 0.048 (4) | 0.051 (3) | 0.052 (3) | −0.017 (2) | −0.012 (3) | 0.019 (2) |
C2k | 0.027 (3) | 0.047 (2) | 0.033 (2) | −0.0090 (17) | −0.0070 (19) | 0.0056 (15) |
C3k | 0.042 (3) | 0.049 (2) | 0.040 (2) | −0.011 (2) | −0.012 (2) | 0.0009 (18) |
C4k | 0.058 (4) | 0.048 (3) | 0.052 (3) | −0.019 (3) | −0.010 (3) | 0.004 (2) |
C5k | 0.038 (3) | 0.057 (3) | 0.034 (2) | −0.010 (2) | −0.007 (2) | 0.0028 (19) |
C6k | 0.065 (5) | 0.056 (3) | 0.036 (3) | −0.009 (3) | −0.013 (3) | −0.001 (2) |
C7k | 0.031 (3) | 0.043 (2) | 0.031 (2) | −0.0058 (17) | −0.0089 (19) | 0.0068 (15) |
O24l | 0.049 (2) | 0.049 (2) | 0.0338 (16) | −0.0170 (18) | −0.0059 (14) | 0.0019 (14) |
N1l | 0.0314 (19) | 0.044 (2) | 0.0316 (18) | −0.0078 (17) | −0.0042 (15) | 0.0041 (15) |
C1l | 0.047 (3) | 0.042 (3) | 0.059 (3) | −0.014 (2) | −0.010 (2) | 0.016 (2) |
C2l | 0.027 (2) | 0.042 (2) | 0.035 (2) | −0.0052 (19) | −0.0063 (16) | 0.0078 (18) |
C3l | 0.040 (3) | 0.049 (3) | 0.040 (3) | −0.010 (2) | −0.005 (2) | 0.001 (2) |
C4l | 0.059 (3) | 0.044 (3) | 0.053 (3) | −0.013 (3) | −0.011 (3) | 0.003 (2) |
C5l | 0.038 (3) | 0.055 (3) | 0.035 (2) | −0.009 (2) | −0.0070 (19) | 0.008 (2) |
C6l | 0.060 (4) | 0.065 (4) | 0.036 (2) | −0.023 (3) | −0.004 (2) | 0.001 (2) |
C7l | 0.028 (2) | 0.043 (3) | 0.034 (2) | −0.0106 (19) | −0.0046 (16) | 0.0077 (18) |
O24m | 0.0466 (18) | 0.0415 (19) | 0.0387 (18) | −0.0049 (14) | −0.0081 (14) | −0.0048 (13) |
N1m | 0.0310 (18) | 0.0371 (19) | 0.0392 (19) | −0.0072 (14) | −0.0038 (14) | −0.0062 (13) |
C1m | 0.046 (3) | 0.034 (3) | 0.067 (3) | −0.008 (2) | −0.012 (2) | 0.005 (2) |
C2m | 0.0276 (18) | 0.035 (2) | 0.045 (2) | −0.0094 (15) | −0.0050 (16) | −0.0049 (16) |
C3m | 0.039 (2) | 0.046 (3) | 0.043 (3) | −0.0093 (19) | −0.0050 (19) | −0.0028 (18) |
C4m | 0.059 (3) | 0.046 (3) | 0.051 (3) | −0.014 (2) | −0.010 (2) | 0.006 (2) |
C5m | 0.038 (2) | 0.043 (3) | 0.048 (3) | −0.010 (2) | −0.0058 (19) | −0.0105 (19) |
C6m | 0.056 (3) | 0.051 (3) | 0.045 (3) | −0.002 (3) | −0.008 (2) | −0.010 (2) |
C7m | 0.0272 (18) | 0.033 (2) | 0.043 (2) | −0.0040 (16) | −0.0064 (16) | −0.0052 (16) |
O24n | 0.0461 (18) | 0.0437 (19) | 0.0367 (17) | −0.0053 (15) | −0.0072 (13) | −0.0041 (13) |
N1n | 0.0313 (17) | 0.0397 (19) | 0.0365 (19) | −0.0086 (14) | −0.0031 (14) | −0.0060 (14) |
C1n | 0.046 (3) | 0.033 (3) | 0.067 (3) | −0.007 (2) | −0.010 (2) | −0.001 (2) |
C2n | 0.0280 (18) | 0.037 (2) | 0.042 (2) | −0.0104 (15) | −0.0043 (15) | −0.0061 (16) |
C3n | 0.040 (2) | 0.047 (3) | 0.042 (3) | −0.0105 (19) | −0.0046 (19) | −0.0020 (19) |
C4n | 0.059 (3) | 0.045 (3) | 0.052 (3) | −0.013 (2) | −0.011 (2) | 0.005 (2) |
C5n | 0.038 (2) | 0.047 (3) | 0.044 (3) | −0.011 (2) | −0.0048 (19) | −0.011 (2) |
C6n | 0.055 (3) | 0.056 (3) | 0.041 (3) | −0.003 (3) | −0.006 (2) | −0.009 (2) |
C7n | 0.0270 (17) | 0.035 (2) | 0.041 (2) | −0.0047 (16) | −0.0048 (15) | −0.0066 (17) |
O24o | 0.0399 (18) | 0.0359 (14) | 0.050 (3) | −0.0051 (11) | −0.0049 (16) | 0.0000 (14) |
N1o | 0.041 (2) | 0.0312 (15) | 0.033 (3) | −0.0034 (12) | −0.0078 (17) | 0.0022 (15) |
C1o | 0.066 (3) | 0.041 (3) | 0.048 (4) | −0.022 (2) | −0.017 (3) | 0.001 (2) |
C2o | 0.046 (2) | 0.0317 (18) | 0.027 (3) | −0.0063 (14) | −0.0092 (19) | 0.0020 (16) |
C3o | 0.045 (3) | 0.041 (2) | 0.043 (3) | −0.0063 (17) | −0.010 (2) | 0.004 (2) |
C4o | 0.050 (3) | 0.051 (3) | 0.057 (4) | −0.016 (2) | −0.014 (3) | −0.002 (2) |
C5o | 0.051 (3) | 0.036 (2) | 0.037 (4) | −0.0024 (17) | −0.007 (2) | 0.000 (2) |
C6o | 0.047 (3) | 0.039 (2) | 0.064 (5) | −0.0018 (18) | −0.005 (3) | 0.001 (2) |
C7o | 0.045 (2) | 0.0276 (18) | 0.031 (3) | −0.0069 (14) | −0.0069 (18) | 0.0038 (16) |
Mo1a | 0.0210 (3) | 0.0230 (3) | 0.0162 (2) | −0.0051 (2) | −0.00309 (18) | 0.0016 (2) |
Mo2a | 0.0252 (3) | 0.0296 (3) | 0.0157 (3) | −0.0078 (2) | −0.0039 (2) | 0.0008 (2) |
Mo3a | 0.0228 (3) | 0.0278 (3) | 0.0190 (3) | −0.0084 (2) | 0.0015 (2) | −0.0015 (2) |
Mo4a | 0.0240 (3) | 0.0229 (3) | 0.0205 (3) | −0.0029 (2) | −0.0013 (2) | 0.0009 (2) |
Mo5a | 0.0293 (3) | 0.0267 (3) | 0.0164 (3) | −0.0093 (2) | 0.0041 (2) | −0.0036 (2) |
P1a | 0.0196 (7) | 0.0263 (7) | 0.0139 (7) | −0.0070 (6) | −0.0017 (6) | 0.0005 (6) |
P2a | 0.0171 (7) | 0.0349 (9) | 0.0232 (8) | −0.0057 (6) | −0.0016 (6) | −0.0008 (7) |
O1a | 0.026 (3) | 0.028 (2) | 0.018 (2) | −0.0123 (19) | −0.0035 (19) | 0.0021 (18) |
O2a | 0.035 (3) | 0.038 (3) | 0.025 (3) | −0.012 (2) | −0.008 (2) | −0.005 (2) |
O3a | 0.034 (3) | 0.033 (3) | 0.027 (3) | −0.010 (2) | −0.003 (2) | −0.007 (2) |
O4a | 0.043 (3) | 0.026 (3) | 0.032 (3) | −0.007 (2) | −0.002 (2) | 0.004 (2) |
O5a | 0.028 (2) | 0.027 (2) | 0.022 (3) | −0.0078 (19) | −0.011 (2) | 0.001 (2) |
O6a | 0.032 (3) | 0.030 (3) | 0.021 (2) | −0.008 (2) | −0.0068 (19) | 0.007 (2) |
O7a | 0.048 (3) | 0.036 (3) | 0.019 (2) | −0.020 (2) | 0.000 (2) | −0.003 (2) |
O8a | 0.016 (2) | 0.028 (2) | 0.019 (2) | −0.0074 (18) | 0.0028 (18) | −0.0012 (19) |
O9a | 0.020 (2) | 0.039 (3) | 0.029 (3) | −0.007 (2) | −0.005 (2) | 0.003 (2) |
O10a | 0.029 (2) | 0.024 (2) | 0.017 (2) | −0.0079 (19) | 0.0029 (19) | 0.0011 (18) |
O11a | 0.019 (2) | 0.032 (2) | 0.013 (2) | −0.0061 (18) | 0.0007 (16) | 0.0005 (18) |
O12a | 0.024 (3) | 0.034 (3) | 0.024 (3) | −0.010 (2) | −0.002 (2) | −0.003 (2) |
O13a | 0.031 (3) | 0.035 (3) | 0.028 (3) | −0.007 (2) | −0.012 (2) | 0.004 (2) |
O14a | 0.0165 (19) | 0.029 (2) | 0.016 (2) | −0.0049 (16) | 0.0003 (16) | 0.0009 (18) |
O15a | 0.022 (2) | 0.028 (2) | 0.017 (2) | −0.0054 (19) | 0.0009 (18) | −0.0043 (19) |
O16a | 0.033 (3) | 0.036 (3) | 0.030 (3) | −0.015 (2) | 0.000 (2) | 0.002 (2) |
O17a | 0.026 (2) | 0.028 (2) | 0.011 (2) | −0.0126 (18) | −0.0019 (18) | 0.0024 (18) |
O18a | 0.031 (3) | 0.027 (3) | 0.024 (2) | 0.000 (2) | −0.013 (2) | −0.004 (2) |
O19a | 0.028 (3) | 0.038 (3) | 0.034 (3) | −0.009 (2) | −0.003 (2) | −0.002 (2) |
O20a | 0.038 (3) | 0.026 (2) | 0.022 (3) | −0.010 (2) | 0.001 (2) | 0.000 (2) |
O21a | 0.028 (3) | 0.027 (3) | 0.029 (3) | −0.005 (2) | 0.000 (2) | −0.007 (2) |
O22a | 0.018 (2) | 0.033 (3) | 0.029 (3) | −0.004 (2) | −0.003 (2) | −0.002 (2) |
O23a | 0.047 (3) | 0.034 (3) | 0.024 (3) | −0.014 (2) | 0.008 (2) | −0.004 (2) |
Mo1b | 0.0212 (3) | 0.0209 (3) | 0.0187 (3) | −0.0055 (2) | −0.00384 (19) | 0.0041 (2) |
Mo2b | 0.0258 (3) | 0.0267 (3) | 0.0190 (3) | −0.0083 (2) | −0.0061 (2) | 0.0067 (2) |
Mo3b | 0.0250 (3) | 0.0276 (3) | 0.0195 (3) | −0.0117 (2) | −0.0013 (2) | 0.0032 (2) |
Mo4b | 0.0241 (3) | 0.0224 (3) | 0.0216 (3) | −0.0046 (2) | −0.0006 (2) | 0.0021 (2) |
Mo5b | 0.0321 (3) | 0.0278 (3) | 0.0157 (3) | −0.0135 (2) | 0.0007 (2) | 0.0027 (2) |
P1b | 0.0208 (7) | 0.0238 (8) | 0.0168 (8) | −0.0084 (6) | −0.0040 (6) | 0.0058 (6) |
P2b | 0.0183 (7) | 0.0341 (10) | 0.0248 (9) | −0.0091 (6) | −0.0029 (6) | 0.0052 (6) |
O1b | 0.027 (3) | 0.024 (3) | 0.021 (2) | −0.012 (2) | −0.0076 (19) | 0.0054 (17) |
O2b | 0.036 (3) | 0.040 (3) | 0.023 (3) | −0.013 (2) | −0.010 (2) | 0.003 (2) |
O3b | 0.036 (3) | 0.038 (3) | 0.022 (3) | −0.013 (2) | −0.005 (2) | −0.001 (2) |
O4b | 0.043 (3) | 0.025 (3) | 0.034 (3) | −0.008 (2) | −0.001 (2) | 0.000 (2) |
O5b | 0.027 (2) | 0.027 (3) | 0.022 (3) | −0.005 (2) | −0.011 (2) | 0.0030 (19) |
O6b | 0.031 (3) | 0.023 (3) | 0.028 (3) | −0.006 (2) | −0.0083 (19) | 0.0085 (19) |
O7b | 0.052 (3) | 0.035 (3) | 0.020 (3) | −0.022 (2) | −0.007 (2) | 0.0055 (19) |
O8b | 0.018 (2) | 0.028 (3) | 0.020 (2) | −0.0118 (18) | 0.0000 (18) | 0.0037 (18) |
O9b | 0.021 (3) | 0.035 (3) | 0.034 (3) | −0.009 (2) | −0.006 (2) | 0.007 (2) |
O10b | 0.031 (2) | 0.022 (3) | 0.019 (2) | −0.0107 (19) | 0.0004 (19) | 0.0039 (17) |
O11b | 0.021 (2) | 0.028 (3) | 0.018 (2) | −0.0093 (18) | −0.0020 (17) | 0.0084 (17) |
O12b | 0.026 (3) | 0.035 (3) | 0.023 (3) | −0.013 (2) | −0.005 (2) | 0.003 (2) |
O13b | 0.030 (3) | 0.032 (3) | 0.032 (3) | −0.004 (2) | −0.011 (2) | 0.005 (2) |
O14b | 0.0178 (19) | 0.026 (2) | 0.020 (2) | −0.0079 (17) | −0.0014 (16) | 0.0067 (17) |
O15b | 0.024 (2) | 0.030 (3) | 0.016 (2) | −0.0092 (19) | −0.0005 (18) | 0.0029 (18) |
O16b | 0.037 (3) | 0.034 (3) | 0.032 (3) | −0.018 (3) | −0.005 (2) | 0.004 (2) |
O17b | 0.028 (2) | 0.022 (2) | 0.016 (2) | −0.0126 (18) | −0.0071 (18) | 0.0083 (17) |
O18b | 0.028 (3) | 0.032 (3) | 0.020 (3) | 0.001 (2) | −0.008 (2) | −0.001 (2) |
O19b | 0.030 (3) | 0.040 (3) | 0.032 (3) | −0.012 (2) | −0.005 (2) | 0.001 (2) |
O20b | 0.039 (3) | 0.026 (3) | 0.022 (3) | −0.012 (2) | −0.002 (2) | 0.002 (2) |
O21b | 0.030 (3) | 0.034 (3) | 0.023 (3) | −0.009 (2) | 0.000 (2) | −0.004 (2) |
O22b | 0.019 (2) | 0.035 (3) | 0.027 (3) | −0.007 (2) | −0.002 (2) | 0.001 (2) |
O23b | 0.052 (3) | 0.036 (3) | 0.023 (3) | −0.020 (3) | 0.003 (2) | 0.003 (2) |
Geometric parameters (Å, º) top
Mo1bx—O1bx | 1.897 (8) | O24h—C7l | 1.079 (17) |
Mo1bx—O6bx | 1.712 (13) | N1h—C2h | 1.46 (2) |
Mo1bx—O18bx | 1.937 (10) | N1h—H1n1h | 0.87 (6) |
Mo1bx—O13bx | 1.694 (14) | N1h—H2n1h | 0.87 (5) |
Mo1bx—Mo1b | 0.427 (2) | N1h—N1l | 0.25 (3) |
Mo1bx—O1b | 1.598 (5) | N1h—C2l | 1.44 (2) |
Mo1bx—O6b | 1.724 (6) | N1h—H1n1l | 0.80 (6) |
Mo1bx—O13b | 1.606 (7) | C1h—C4h | 1.38 (3) |
Mo4bx—O1bx | 1.919 (9) | C1h—C5h | 1.39 (2) |
Mo4bx—O20bx | 1.722 (16) | C1h—H1c1h | 0.96 |
Mo4bx—O21bx | 1.944 (10) | C1h—C1l | 0.38 (3) |
Mo4bx—O4bx | 1.697 (11) | C1h—C4l | 1.10 (3) |
Mo4bx—Mo4b | 0.211 (3) | C1h—H1c1l | 0.988 |
Mo4bx—O1b | 1.929 (5) | C2h—C3h | 1.39 (2) |
Mo4bx—O4b | 1.895 (6) | C2h—C7h | 1.373 (17) |
Mo4bx—O20b | 1.625 (8) | C2h—N1l | 1.53 (3) |
Mo4bx—O21b | 1.893 (6) | C2h—C2l | 0.291 (19) |
Mo5bx—O23bx | 1.716 (14) | C2h—C3l | 1.12 (3) |
Mo5bx—O10bx | 1.959 (8) | C3h—C4h | 1.38 (3) |
Mo5bx—O7bx | 1.712 (17) | C3h—H1c3h | 0.96 |
Mo5bx—O21bx | 1.913 (7) | C3h—C3l | 0.33 (2) |
Mo5bx—Mo5b | 0.342 (3) | C3h—C4l | 1.42 (3) |
Mo5bx—O7b | 1.950 (8) | C3h—H1c3l | 0.7268 |
Mo5bx—O10b | 1.698 (5) | C4h—H1c4h | 0.96 |
Mo5bx—O15b | 2.028 (6) | C4h—C3l | 1.43 (3) |
Mo5bx—O21b | 2.132 (6) | C4h—C4l | 0.37 (3) |
Mo5bx—O23b | 1.728 (7) | C4h—H1c4l | 0.6897 |
Mo3bx—O10bx | 1.935 (11) | C5h—C7h | 1.401 (19) |
Mo3bx—O19bx | 1.730 (11) | C5h—H1c5h | 0.96 |
Mo3bx—O16bx | 1.698 (15) | C5h—C1l | 1.04 (2) |
Mo3bx—O12bx | 1.922 (10) | C5h—C5l | 0.37 (2) |
Mo3bx—Mo3b | 0.461 (2) | C5h—C7l | 1.52 (2) |
Mo3bx—O12b | 1.738 (6) | C6h—H1c6h | 0.96 |
Mo3bx—O16b | 2.044 (7) | C6h—H2c6h | 0.96 |
Mo3bx—O17b | 2.078 (6) | C6h—H3c6h | 0.96 |
Mo3bx—O19b | 1.481 (6) | C6h—O24l | 1.281 (19) |
Mo2bx—O3bx | 1.701 (10) | C6h—C6l | 0.41 (3) |
Mo2bx—O18bx | 1.923 (12) | C6h—H2c6l | 0.8114 |
Mo2bx—O12bx | 1.960 (13) | C7h—C2l | 1.166 (17) |
Mo2bx—O2bx | 1.717 (16) | C7h—C5l | 1.358 (19) |
Mo2bx—Mo2b | 0.346 (3) | C7h—C7l | 0.325 (19) |
Mo2bx—O2b | 1.493 (8) | H1c1h—H1c1l | 0.4102 |
Mo2bx—O3b | 1.822 (6) | H1c3h—H1c3l | 0.3333 |
Mo2bx—O18b | 1.753 (7) | H1c4h—H1c4l | 0.4068 |
P1bx—O5bx | 1.569 (14) | H1c5h—C5l | 0.7522 |
P1bx—O14bx | 1.525 (13) | H1c5h—H1c5l | 0.3978 |
P1bx—O17bx | 1.532 (13) | H1c6h—C6l | 0.6592 |
P1bx—O11bx | 1.537 (8) | H1c6h—H1c6l | 0.4299 |
P1bx—P1b | 0.176 (5) | H2c6h—H2c6l | 0.4678 |
P1bx—O14b | 1.352 (8) | H3c6h—C6l | 0.951 |
P1bx—O17b | 1.582 (8) | H3c6h—H3c6l | 0.3824 |
P2bx—O15bx | 1.560 (9) | H1n1h—H1n1l | 0.28 (6) |
P2bx—O22bx | 1.562 (14) | H2n1h—N1l | 0.65 (5) |
P2bx—O9bx | 1.535 (10) | H2n1h—H2n1l | 0.23 (6) |
P2bx—O8bx | 1.519 (11) | O24i—C6i | 1.44 (2) |
P2bx—P2b | 0.157 (6) | O24i—C7i | 1.372 (18) |
P2bx—O8b | 1.471 (7) | O24i—O24j | 0.402 (17) |
P2bx—O9b | 1.451 (9) | O24i—C7j | 1.102 (19) |
O3bx—Mo2b | 1.662 (10) | N1i—C2i | 1.46 (2) |
O3bx—O3b | 0.645 (16) | N1i—H1n1i | 0.87 (5) |
O5bx—P1b | 1.514 (13) | N1i—H2n1i | 0.87 (4) |
O5bx—O5b | 0.347 (16) | N1i—N1j | 0.33 (2) |
O14bx—Mo1b | 2.151 (11) | N1i—C2j | 1.38 (2) |
O14bx—O14b | 0.218 (13) | N1i—H1n1j | 0.68 (5) |
O15bx—Mo3b | 2.053 (6) | C1i—C4i | 1.38 (3) |
O15bx—P2b | 1.533 (7) | C1i—C5i | 1.39 (3) |
O15bx—O15b | 0.383 (9) | C1i—H1c1i | 0.96 |
O1bx—Mo4b | 1.924 (9) | C1i—C1j | 0.35 (4) |
O1bx—O1b | 0.547 (15) | C1i—C4j | 1.22 (3) |
O6bx—Mo1b | 1.764 (14) | C1i—H1c1j | 0.9213 |
O6bx—O6b | 0.317 (16) | C2i—C3i | 1.39 (2) |
O23bx—Mo5b | 1.794 (14) | C2i—C7i | 1.373 (18) |
O23bx—O23b | 0.47 (2) | C2i—C2j | 0.291 (17) |
O17bx—Mo2b | 2.107 (9) | C2i—C3j | 1.11 (2) |
O17bx—P1b | 1.523 (12) | C2i—C7j | 1.567 (17) |
O17bx—O17b | 0.380 (11) | C3i—C4i | 1.38 (2) |
O18bx—Mo1b | 1.544 (11) | C3i—H1c3i | 0.96 |
O18bx—Mo2b | 2.147 (12) | C3i—C3j | 0.30 (3) |
O18bx—O18b | 0.648 (12) | C3i—C4j | 1.33 (3) |
O11bx—P1b | 1.444 (7) | C3i—H1c3j | 0.809 |
O11bx—O11b | 0.244 (8) | C4i—H1c4i | 0.96 |
O10bx—Mo3b | 1.726 (12) | C4i—C3j | 1.50 (3) |
O10bx—O10b | 0.330 (10) | C4i—C4j | 0.36 (4) |
O13bx—Mo1b | 1.941 (13) | C4i—H1c4j | 0.7152 |
O13bx—O13b | 0.724 (15) | C5i—C7i | 1.401 (19) |
O7bx—Mo5b | 1.487 (16) | C5i—H1c5i | 0.96 |
O7bx—O7b | 0.29 (2) | C5i—C1j | 1.08 (2) |
O19bx—Mo3b | 2.050 (11) | C5i—C5j | 0.31 (2) |
O19bx—O19b | 0.540 (15) | C5i—C7j | 1.543 (18) |
O16bx—Mo3b | 1.464 (16) | C6i—H1c6i | 0.96 |
O16bx—O16b | 0.629 (15) | C6i—H2c6i | 0.96 |
O20bx—Mo4b | 1.813 (16) | C6i—H3c6i | 0.96 |
O20bx—O20b | 0.486 (14) | C6i—O24j | 1.32 (2) |
O12bx—Mo2b | 1.681 (13) | C6i—C6j | 0.45 (2) |
O12bx—O12b | 0.571 (11) | C6i—H2c6j | 0.7224 |
O21bx—Mo4b | 1.992 (10) | C7i—C2j | 1.225 (18) |
O21bx—Mo5b | 1.768 (8) | C7i—C5j | 1.313 (19) |
O21bx—O21b | 0.533 (15) | C7i—C7j | 0.316 (15) |
O4bx—Mo4b | 1.492 (11) | H1c1i—H1c1j | 0.3989 |
O4bx—O4b | 0.465 (17) | H1c3i—H1c3j | 0.2971 |
O2bx—Mo2b | 1.944 (16) | H1c4i—H1c4j | 0.4287 |
O2bx—O2b | 0.477 (15) | H1c5i—C5j | 0.8152 |
O22bx—P2b | 1.513 (13) | H1c5i—H1c5j | 0.3174 |
O22bx—O8b | 1.398 (11) | H1c6i—C6j | 0.7461 |
O22bx—O22b | 1.433 (10) | H1c6i—H1c6j | 0.5292 |
O9bx—P2b | 1.489 (9) | H2c6i—H2c6j | 0.4962 |
O9bx—O9b | 1.277 (17) | H3c6i—C6j | 0.8535 |
O8bx—O8b | 1.393 (13) | H3c6i—H3c6j | 0.3611 |
O1w—O1w' | 0.63 (5) | H1n1i—H1n1j | 0.38 (6) |
O2w—O2w' | 0.71 (6) | H2n1i—N1j | 0.58 (5) |
O24a—C6a | 1.441 (9) | H2n1i—H2n1j | 0.38 (6) |
O24a—C7a | 1.372 (9) | O24j—C6j | 1.44 (2) |
N1a—C2a | 1.462 (11) | O24j—C7j | 1.372 (17) |
N1a—H1n1a | 0.87 (5) | N1j—C2j | 1.46 (2) |
N1a—H2n1a | 0.87 (4) | N1j—H1n1j | 0.87 (5) |
C1a—C4a | 1.381 (15) | N1j—H2n1j | 0.87 (4) |
C1a—C5a | 1.386 (12) | C1j—C4j | 1.38 (3) |
C1a—H1c1a | 0.96 | C1j—C5j | 1.39 (2) |
C2a—C3a | 1.387 (12) | C1j—H1c1j | 0.96 |
C2a—C7a | 1.373 (11) | C2j—C3j | 1.39 (2) |
C3a—C4a | 1.382 (13) | C2j—C7j | 1.373 (18) |
C3a—H1c3a | 0.96 | C3j—C4j | 1.38 (2) |
C4a—H1c4a | 0.96 | C3j—H1c3j | 0.96 |
C5a—C7a | 1.401 (11) | C4j—H1c4j | 0.96 |
C5a—H1c5a | 0.96 | C5j—C7j | 1.401 (18) |
C6a—H1c6a | 0.96 | C5j—H1c5j | 0.96 |
C6a—H2c6a | 0.96 | C6j—H1c6j | 0.96 |
C6a—H3c6a | 0.96 | C6j—H2c6j | 0.96 |
O24b—C2bi | 1.32 (5) | C6j—H3c6j | 0.96 |
O24b—C3bi | 0.89 (5) | O24k—C6k | 1.44 (2) |
O24b—C4bi | 1.12 (8) | O24k—C7k | 1.372 (18) |
O24b—C6b | 1.44 (5) | N1k—C2k | 1.46 (2) |
O24b—C7b | 1.37 (4) | N1k—H1n1k | 0.87 (5) |
N1b—C2b | 1.46 (7) | N1k—H2n1k | 0.87 (4) |
N1b—C5bi | 0.76 (6) | C1k—C4k | 1.38 (3) |
N1b—H1c5bi | 0.3454 | C1k—C5k | 1.39 (3) |
N1b—H1n1b | 0.87 (6) | C1k—H1c1k | 0.96 |
N1b—H2n1b | 0.87 (10) | C2k—C3k | 1.39 (3) |
C1b—C4b | 1.38 (8) | C2k—C7k | 1.373 (17) |
C1b—C5b | 1.39 (8) | C3k—C4k | 1.38 (3) |
C1b—H1c1b | 0.96 | C3k—H1c3k | 0.96 |
C2b—C3b | 1.39 (6) | C4k—H1c4k | 0.96 |
C2b—C5bi | 1.19 (5) | C5k—C7k | 1.401 (19) |
C2b—C7b | 1.37 (2) | C5k—H1c5k | 0.96 |
C2b—C7bi | 0.74 (3) | C6k—H1c6k | 0.96 |
C3b—C4b | 1.38 (8) | C6k—H2c6k | 0.96 |
C3b—C6bi | 0.65 (5) | C6k—H3c6k | 0.96 |
C3b—H1c3b | 0.96 | O24l—C6l | 1.44 (2) |
C4b—H1c4b | 0.96 | O24l—C7l | 1.372 (18) |
C5b—C7b | 1.40 (3) | N1l—C2l | 1.46 (2) |
C5b—H1c5b | 0.96 | N1l—H1n1l | 0.87 (6) |
C5b—H2n1bi | 0.99 (8) | N1l—H2n1l | 0.87 (5) |
C6b—H1c3bi | 0.4713 | C1l—C4l | 1.38 (3) |
C6b—H1c6b | 0.96 | C1l—C5l | 1.39 (2) |
C6b—H2c6b | 0.96 | C1l—H1c1l | 0.96 |
C6b—H3c6b | 0.96 | C2l—C3l | 1.39 (2) |
C7b—C7bi | 0.705 (13) | C2l—C7l | 1.373 (17) |
H1c3b—H2c6bi | 0.6223 | C3l—C4l | 1.38 (3) |
H1c5b—H1n1bi | 0.5574 | C3l—H1c3l | 0.96 |
O24c—C6c | 1.441 (12) | C4l—H1c4l | 0.96 |
O24c—C7c | 1.372 (10) | C5l—C7l | 1.40 (2) |
N1c—C2c | 1.462 (15) | C5l—H1c5l | 0.96 |
N1c—H1n1c | 0.87 (6) | C6l—H1c6l | 0.96 |
N1c—H2n1c | 0.87 (4) | C6l—H2c6l | 0.96 |
C1c—C4c | 1.381 (19) | C6l—H3c6l | 0.96 |
C1c—C5c | 1.386 (16) | O24m—C6m | 1.441 (18) |
C1c—H1c1c | 0.96 | O24m—C7m | 1.372 (17) |
C2c—C3c | 1.387 (14) | O24m—O24n | 0.365 (15) |
C2c—C7c | 1.373 (11) | O24m—C6n | 1.390 (19) |
C3c—C4c | 1.382 (17) | O24m—C7n | 1.131 (17) |
C3c—H1c3c | 0.96 | N1m—C2m | 1.46 (2) |
C4c—H1c4c | 0.96 | N1m—H1n1m | 0.87 (6) |
C5c—C7c | 1.401 (12) | N1m—H2n1m | 0.87 (5) |
C5c—H1c5c | 0.96 | N1m—N1n | 0.19 (2) |
C6c—H1c6c | 0.96 | N1m—C2n | 1.49 (2) |
C6c—H2c6c | 0.96 | N1m—H2n1n | 0.73 (5) |
C6c—H3c6c | 0.96 | C1m—C4m | 1.38 (3) |
O24d—C6d | 1.441 (11) | C1m—C5m | 1.39 (2) |
O24d—C7d | 1.372 (9) | C1m—H1c1m | 0.96 |
N1d—C2d | 1.462 (14) | C1m—C1n | 0.54 (3) |
N1d—H1n1d | 0.87 (5) | C1m—C4n | 0.91 (3) |
N1d—H2n1d | 0.87 (4) | C2m—C3m | 1.39 (2) |
C1d—C4d | 1.381 (19) | C2m—C7m | 1.373 (17) |
C1d—C5d | 1.386 (14) | C2m—N1n | 1.43 (2) |
C1d—H1c1d | 0.96 | C2m—C2n | 0.072 (18) |
C2d—C3d | 1.387 (14) | C2m—C3n | 1.35 (2) |
C2d—C7d | 1.373 (11) | C2m—C7n | 1.444 (17) |
C3d—C4d | 1.382 (15) | C3m—C4m | 1.38 (2) |
C3d—H1c3d | 0.96 | C3m—H1c3m | 0.96 |
C4d—H1c4d | 0.96 | C3m—C2n | 1.43 (2) |
C5d—C7d | 1.401 (11) | C3m—C3n | 0.30 (2) |
C5d—H1c5d | 0.96 | C3m—H1c3n | 0.7107 |
C6d—H1c6d | 0.96 | C4m—H1c4m | 0.96 |
C6d—H2c6d | 0.96 | C4m—C3n | 1.18 (2) |
C6d—H3c6d | 0.96 | C4m—C4n | 0.48 (3) |
O24e—C6e | 1.44 (2) | C4m—H1c4n | 0.8707 |
O24e—C7e | 1.372 (15) | C5m—C7m | 1.401 (17) |
O24e—O24f | 0.444 (14) | C5m—H1c5m | 0.96 |
O24e—C6f | 1.40 (2) | C5m—C1n | 0.95 (2) |
N1e—C2e | 1.46 (2) | C5m—C5n | 0.45 (2) |
N1e—H1n1e | 0.87 (7) | C6m—H1c6m | 0.96 |
N1e—H2n1e | 0.87 (5) | C6m—H2c6m | 0.96 |
N1e—N1f | 0.67 (3) | C6m—H3c6m | 0.96 |
N1e—H1n1f | 0.75 (5) | C6m—C6n | 0.60 (2) |
C1e—C4e | 1.38 (3) | C6m—H2c6n | 0.852 |
C1e—C5e | 1.39 (2) | C6m—H3c6n | 0.8146 |
C1e—H1c1e | 0.96 | C7m—C2n | 1.303 (16) |
C1e—C1f | 0.59 (3) | C7m—C5n | 1.261 (17) |
C1e—C5f | 1.03 (2) | C7m—C7n | 0.249 (16) |
C2e—C3e | 1.39 (2) | H1c1m—H1c1n | 0.6993 |
C2e—C7e | 1.373 (18) | H1c3m—H1c3n | 0.3898 |
C2e—N1f | 1.26 (2) | H1c4m—H1c4n | 0.6248 |
C2e—C2f | 0.461 (17) | H1c5m—C5n | 0.815 |
C2e—C7f | 1.328 (18) | H1c5m—H1c5n | 0.5917 |
C3e—C4e | 1.38 (2) | H1c6m—C6n | 0.5957 |
C3e—H1c3e | 0.96 | H1c6m—H1c6n | 0.6989 |
C3e—C2f | 1.02 (2) | H2c6m—H2c6n | 0.6626 |
C3e—C3f | 0.42 (2) | H3c6m—H3c6n | 0.6239 |
C4e—H1c4e | 0.96 | H1n1m—N1n | 0.84 (6) |
C4e—C1f | 1.33 (3) | H1n1m—H1n1n | 0.26 (6) |
C4e—C3f | 1.15 (2) | H2n1m—H2n1n | 0.28 (6) |
C4e—C4f | 0.45 (3) | O24n—C6n | 1.441 (18) |
C5e—C7e | 1.401 (17) | O24n—C7n | 1.372 (16) |
C5e—H1c5e | 0.96 | N1n—C2n | 1.46 (2) |
C5e—C5f | 0.55 (2) | N1n—H1n1n | 0.87 (6) |
C5e—C7f | 1.142 (18) | N1n—H2n1n | 0.87 (5) |
C5e—H1c5f | 1.021 | C1n—C4n | 1.38 (3) |
C6e—H1c6e | 0.96 | C1n—C5n | 1.39 (2) |
C6e—H2c6e | 0.96 | C1n—H1c1n | 0.96 |
C6e—H3c6e | 0.96 | C2n—C3n | 1.39 (2) |
C6e—C6f | 0.47 (2) | C2n—C7n | 1.373 (16) |
C6e—H1c6f | 0.5045 | C3n—C4n | 1.38 (2) |
C7e—O24f | 0.956 (15) | C3n—H1c3n | 0.96 |
C7e—C2f | 1.534 (16) | C4n—H1c4n | 0.96 |
C7e—C7f | 0.427 (14) | C5n—C7n | 1.401 (17) |
H1c1e—C1f | 0.8986 | C5n—H1c5n | 0.96 |
H1c1e—H1c1f | 0.7592 | C6n—H1c6n | 0.96 |
H1c3e—C3f | 0.9386 | C6n—H2c6n | 0.96 |
H1c3e—H1c3f | 0.4889 | C6n—H3c6n | 0.96 |
H1c4e—C4f | 0.5858 | O24o—C1oii | 0.65 (6) |
H1c4e—H1c4f | 0.4701 | O24o—C4oii | 1.51 (5) |
H1c5e—H1c5f | 0.665 | O24o—C5oii | 0.90 (3) |
H1c6e—H1c6f | 0.467 | O24o—C6o | 1.44 (4) |
H2c6e—C6f | 0.7948 | O24o—C7o | 1.37 (3) |
H2c6e—H2c6f | 0.4598 | N1o—C2o | 1.46 (5) |
H3c6e—C6f | 1.0063 | N1o—H1n1o | 0.87 (5) |
H3c6e—H3c6f | 0.6338 | N1o—H2n1o | 0.87 (7) |
H1n1e—H1n1f | 0.73 (7) | C1o—C4o | 1.38 (6) |
H2n1e—H2n1f | 0.73 (6) | C1o—C5o | 1.39 (6) |
O24f—C6f | 1.441 (19) | C1o—C6oii | 1.56 (5) |
O24f—C7f | 1.372 (15) | C1o—H1c1o | 0.96 |
N1f—C2f | 1.46 (2) | C2o—C3o | 1.39 (4) |
N1f—H1n1f | 0.87 (6) | C2o—C5oii | 1.41 (3) |
N1f—H2n1f | 0.87 (5) | C2o—C7o | 1.37 (2) |
C1f—C4f | 1.38 (3) | C2o—H1c5oii | 0.7728 |
C1f—C5f | 1.39 (2) | C3o—C4o | 1.38 (7) |
C1f—H1c1f | 0.96 | C3o—C6oii | 0.88 (5) |
C2f—C3f | 1.387 (19) | C3o—H1c3o | 0.96 |
C2f—C7f | 1.373 (17) | C3o—H2c6oii | 0.8673 |
C3f—C4f | 1.38 (2) | C3o—H3c6oii | 0.8408 |
C3f—H1c3f | 0.96 | C4o—C6oii | 0.58 (7) |
C4f—H1c4f | 0.96 | C4o—H1c4o | 0.96 |
C5f—C7f | 1.401 (16) | C4o—H1c6oii | 0.4922 |
C5f—H1c5f | 0.96 | C5o—C7o | 1.40 (3) |
C6f—H1c6f | 0.96 | C5o—C7oii | 0.74 (3) |
C6f—H2c6f | 0.96 | C5o—H1c5o | 0.96 |
C6f—H3c6f | 0.96 | C6o—H1c6o | 0.96 |
O24g—C6g | 1.44 (2) | C6o—H2c6o | 0.96 |
O24g—C7g | 1.372 (17) | C6o—H3c6o | 0.96 |
O24g—O24k | 0.358 (16) | C7o—C7oii | 0.731 (14) |
O24g—C6k | 1.26 (2) | H1c4o—H1c6oii | 0.5119 |
N1g—C2g | 1.46 (2) | Mo1a—O1a | 1.898 (5) |
N1g—H1n1g | 0.87 (5) | Mo1a—O6a | 1.712 (5) |
N1g—H2n1g | 0.87 (4) | Mo1a—O13a | 1.695 (7) |
N1g—N1k | 0.26 (3) | Mo1a—O18a | 1.942 (6) |
N1g—C2k | 1.52 (2) | Mo2a—O2a | 1.717 (7) |
N1g—H2n1k | 0.67 (4) | Mo2a—O3a | 1.701 (5) |
C1g—C4g | 1.38 (3) | Mo2a—O12a | 1.960 (5) |
C1g—C5g | 1.39 (2) | Mo2a—O18a | 1.929 (6) |
C1g—H1c1g | 0.96 | Mo3a—O10a | 1.936 (6) |
C1g—C1k | 0.45 (3) | Mo3a—O12a | 1.922 (6) |
C1g—C5k | 0.99 (3) | Mo3a—O16a | 1.697 (6) |
C2g—C3g | 1.39 (2) | Mo3a—O19a | 1.730 (6) |
C2g—C7g | 1.373 (17) | Mo4a—O1a | 1.919 (5) |
C2g—N1k | 1.46 (2) | Mo4a—O4a | 1.696 (6) |
C2g—C2k | 0.33 (2) | Mo4a—O20a | 1.724 (7) |
C2g—C7k | 1.130 (17) | Mo4a—O21a | 1.943 (5) |
C3g—C4g | 1.38 (3) | Mo5a—O7a | 1.712 (8) |
C3g—H1c3g | 0.96 | Mo5a—O10a | 1.961 (5) |
C3g—C2k | 1.10 (2) | Mo5a—O21a | 1.913 (6) |
C3g—C3k | 0.36 (3) | Mo5a—O23a | 1.716 (6) |
C3g—C4k | 1.41 (3) | P1a—O5a | 1.569 (7) |
C4g—H1c4g | 0.96 | P1a—O11a | 1.537 (5) |
C4g—C1k | 1.03 (3) | P1a—O14a | 1.524 (5) |
C4g—C3k | 1.46 (3) | P1a—O17a | 1.534 (6) |
C4g—C4k | 0.42 (3) | P2a—O8a | 1.556 (5) |
C5g—C7g | 1.401 (19) | P2a—O9a | 1.534 (7) |
C5g—H1c5g | 0.96 | P2a—O15a | 1.560 (5) |
C5g—C5k | 0.44 (2) | P2a—O22a | 1.517 (6) |
C5g—C7k | 1.372 (19) | Mo1b—O1b | 1.898 (5) |
C5g—H1c5k | 0.7209 | Mo1b—O6b | 1.712 (7) |
C6g—H1c6g | 0.96 | Mo1b—O13b | 1.695 (7) |
C6g—H2c6g | 0.96 | Mo1b—O18b | 1.942 (6) |
C6g—H3c6g | 0.96 | Mo2b—O2b | 1.717 (7) |
C6g—C6k | 0.43 (2) | Mo2b—O3b | 1.701 (6) |
C6g—H1c6k | 0.5852 | Mo2b—O12b | 1.960 (6) |
C6g—H3c6k | 1.0302 | Mo2b—O18b | 1.929 (7) |
C7g—O24k | 1.040 (18) | Mo3b—O10b | 1.936 (6) |
C7g—C5k | 1.537 (19) | Mo3b—O12b | 1.922 (6) |
C7g—C7k | 0.369 (16) | Mo3b—O16b | 1.697 (7) |
H1c1g—C1k | 1.0369 | Mo3b—O19b | 1.730 (6) |
H1c1g—H1c1k | 0.4991 | Mo4b—O1b | 1.919 (5) |
H1c3g—C3k | 0.6632 | Mo4b—O4b | 1.696 (6) |
H1c3g—H1c3k | 0.3586 | Mo4b—O20b | 1.724 (8) |
H1c4g—C4k | 0.6612 | Mo4b—O21b | 1.943 (6) |
H1c4g—H1c4k | 0.451 | Mo5b—O7b | 1.712 (8) |
H1c5g—H1c5k | 0.4779 | Mo5b—O10b | 1.961 (5) |
H1c6g—H1c6k | 0.4329 | Mo5b—O21b | 1.913 (6) |
H2c6g—C6k | 0.8591 | Mo5b—O23b | 1.716 (7) |
H2c6g—H2c6k | 0.4866 | P1b—O5b | 1.569 (6) |
H3c6g—H3c6k | 0.4395 | P1b—O11b | 1.537 (5) |
H1n1g—N1k | 0.83 (6) | P1b—O14b | 1.524 (6) |
H1n1g—H1n1k | 0.28 (7) | P1b—O17b | 1.534 (6) |
H2n1g—H2n1k | 0.24 (6) | P2b—O8b | 1.556 (5) |
O24h—C6h | 1.441 (19) | P2b—O9b | 1.534 (8) |
O24h—C7h | 1.372 (17) | P2b—O15b | 1.560 (6) |
O24h—O24l | 0.34 (2) | P2b—O22b | 1.517 (7) |
| | | |
O1bx—Mo1bx—O6bx | 98.8 (7) | C6j—O24j—C7j | 117.1 (12) |
O1bx—Mo1bx—O18bx | 145.9 (5) | N1i—N1j—H2n1i | 143 (9) |
O1bx—Mo1bx—O13bx | 106.3 (6) | N1i—N1j—C2j | 70 (4) |
O1bx—Mo1bx—Mo1b | 130.4 (5) | N1i—N1j—H1n1j | 45 (5) |
O1bx—Mo1bx—O1b | 15.1 (5) | N1i—N1j—H2n1j | 163 (8) |
O1bx—Mo1bx—O6b | 99.7 (5) | H2n1i—N1j—C2j | 122 (5) |
O1bx—Mo1bx—O13b | 130.7 (4) | H2n1i—N1j—H1n1j | 104 (6) |
O6bx—Mo1bx—O18bx | 97.4 (7) | H2n1i—N1j—H2n1j | 20 (6) |
O6bx—Mo1bx—O13bx | 101.4 (7) | C2j—N1j—H1n1j | 111 (3) |
O6bx—Mo1bx—Mo1b | 90.0 (6) | C2j—N1j—H2n1j | 118 (3) |
O6bx—Mo1bx—O1b | 113.6 (6) | H1n1j—N1j—H2n1j | 120 (5) |
O6bx—Mo1bx—O6b | 10.6 (5) | C1i—C1j—C5i | 147 (6) |
O6bx—Mo1bx—O13b | 100.2 (6) | C1i—C1j—C4j | 55 (4) |
O18bx—Mo1bx—O13bx | 99.6 (6) | C1i—C1j—C5j | 149 (6) |
O18bx—Mo1bx—Mo1b | 20.2 (5) | C1i—C1j—H1c1j | 73.15 |
O18bx—Mo1bx—O1b | 139.1 (4) | C5i—C1j—C4j | 118.9 (17) |
O18bx—Mo1bx—O6b | 91.2 (5) | C5i—C1j—C5j | 2.1 (11) |
O18bx—Mo1bx—O13b | 74.9 (4) | C5i—C1j—H1c1j | 121.44 |
O13bx—Mo1bx—Mo1b | 119.6 (7) | C4j—C1j—C5j | 120.8 (15) |
O13bx—Mo1bx—O1b | 99.5 (5) | C4j—C1j—H1c1j | 119.6 |
O13bx—Mo1bx—O6b | 111.0 (5) | C5j—C1j—H1c1j | 119.6 |
O13bx—Mo1bx—O13b | 25.2 (6) | N1i—C2j—C2i | 100 (4) |
Mo1b—Mo1bx—O1b | 129.5 (4) | N1i—C2j—C7i | 139.5 (16) |
Mo1b—Mo1bx—O6b | 81.3 (4) | N1i—C2j—N1j | 13.1 (9) |
Mo1b—Mo1bx—O13b | 94.6 (4) | N1i—C2j—C3j | 108.7 (13) |
O1b—Mo1bx—O6b | 114.8 (3) | N1i—C2j—C7j | 129.5 (14) |
O1b—Mo1bx—O13b | 121.7 (3) | C2i—C2j—C7i | 115 (4) |
O6b—Mo1bx—O13b | 106.9 (3) | C2i—C2j—N1j | 112 (4) |
O1bx—Mo4bx—O20bx | 102.4 (6) | C2i—C2j—C3j | 14 (5) |
O1bx—Mo4bx—O21bx | 147.0 (6) | C2i—C2j—C7j | 127 (4) |
O1bx—Mo4bx—O4bx | 100.0 (7) | C7i—C2j—N1j | 130.6 (14) |
O1bx—Mo4bx—Mo4b | 88.2 (9) | C7i—C2j—C3j | 109.7 (14) |
O1bx—Mo4bx—O1b | 16.3 (4) | C7i—C2j—C7j | 12.4 (7) |
O1bx—Mo4bx—O4b | 95.6 (4) | N1j—C2j—C3j | 119.4 (13) |
O1bx—Mo4bx—O20b | 86.2 (5) | N1j—C2j—C7j | 119.3 (12) |
O1bx—Mo4bx—O21b | 161.8 (4) | C3j—C2j—C7j | 121.2 (14) |
O20bx—Mo4bx—O21bx | 103.7 (7) | C2i—C3j—C3i | 160 (7) |
O20bx—Mo4bx—O4bx | 105.3 (8) | C2i—C3j—C4i | 131.2 (17) |
O20bx—Mo4bx—Mo4b | 112.5 (11) | C2i—C3j—C2j | 3.6 (11) |
O20bx—Mo4bx—O1b | 118.6 (5) | C2i—C3j—C4j | 120.5 (18) |
O20bx—Mo4bx—O4b | 94.1 (5) | C2i—C3j—H1c3j | 118.78 |
O20bx—Mo4bx—O20b | 16.4 (5) | C3i—C3j—C4i | 60 (5) |
O20bx—Mo4bx—O21b | 89.1 (5) | C3i—C3j—C2j | 158 (7) |
O21bx—Mo4bx—O4bx | 92.2 (5) | C3i—C3j—C4j | 73 (5) |
O21bx—Mo4bx—Mo4b | 100.0 (9) | C3i—C3j—H1c3j | 51.32 |
O21bx—Mo4bx—O1b | 132.3 (5) | C4i—C3j—C2j | 128.9 (15) |
O21bx—Mo4bx—O4b | 102.2 (3) | C4i—C3j—C4j | 13.4 (16) |
O21bx—Mo4bx—O20b | 118.1 (5) | C4i—C3j—H1c3j | 109.78 |
O21bx—Mo4bx—O21b | 15.9 (5) | C2j—C3j—C4j | 118.7 (16) |
O4bx—Mo4bx—Mo4b | 12.6 (10) | C2j—C3j—H1c3j | 120.64 |
O4bx—Mo4bx—O1b | 96.7 (6) | C4j—C3j—H1c3j | 120.64 |
O4bx—Mo4bx—O4b | 13.5 (6) | C1i—C4j—C3i | 141.2 (18) |
O4bx—Mo4bx—O20b | 110.5 (6) | C1i—C4j—C4i | 110 (5) |
O4bx—Mo4bx—O21b | 90.3 (5) | C1i—C4j—C1j | 13.6 (15) |
Mo4b—Mo4bx—O1b | 84.1 (8) | C1i—C4j—C3j | 131.0 (18) |
Mo4b—Mo4bx—O4b | 18.8 (9) | C1i—C4j—H1c4j | 108.6 |
Mo4b—Mo4bx—O20b | 114.4 (10) | C3i—C4j—C4i | 91 (5) |
Mo4b—Mo4bx—O21b | 100.5 (9) | C3i—C4j—C1j | 132.1 (17) |
O1b—Mo4bx—O4b | 96.1 (3) | C3i—C4j—C3j | 12.3 (12) |
O1b—Mo4bx—O20b | 102.3 (3) | C3i—C4j—H1c4j | 108.05 |
O1b—Mo4bx—O21b | 148.1 (3) | C4i—C4j—C1j | 123 (5) |
O4b—Mo4bx—O20b | 97.7 (3) | C4i—C4j—C3j | 103 (5) |
O4b—Mo4bx—O21b | 97.6 (3) | C4i—C4j—H1c4j | 38.38 |
O20b—Mo4bx—O21b | 104.3 (3) | C1j—C4j—C3j | 120.6 (17) |
O23bx—Mo5bx—O10bx | 104.5 (7) | C1j—C4j—H1c4j | 119.69 |
O23bx—Mo5bx—O7bx | 104.7 (8) | C3j—C4j—H1c4j | 119.69 |
O23bx—Mo5bx—O21bx | 95.8 (6) | C5i—C5j—C7i | 100 (4) |
O23bx—Mo5bx—Mo5b | 97.6 (8) | C5i—C5j—H1c5i | 108.88 |
O23bx—Mo5bx—O7b | 109.0 (6) | C5i—C5j—C1j | 7 (4) |
O23bx—Mo5bx—O10b | 100.7 (6) | C5i—C5j—C7j | 112 (4) |
O23bx—Mo5bx—O15b | 85.1 (6) | C5i—C5j—H1c5j | 127.16 |
O23bx—Mo5bx—O21b | 98.0 (6) | C7i—C5j—H1c5i | 150.76 |
O23bx—Mo5bx—O23b | 15.6 (7) | C7i—C5j—C1j | 106.4 (14) |
O10bx—Mo5bx—O7bx | 96.6 (6) | C7i—C5j—C7j | 12.9 (7) |
O10bx—Mo5bx—O21bx | 146.8 (5) | C7i—C5j—H1c5j | 132.67 |
O10bx—Mo5bx—Mo5b | 139.5 (6) | H1c5i—C5j—C1j | 102.36 |
O10bx—Mo5bx—O7b | 98.1 (4) | H1c5i—C5j—C7j | 139.08 |
O10bx—Mo5bx—O10b | 6.3 (3) | H1c5i—C5j—H1c5j | 18.37 |
O10bx—Mo5bx—O15b | 79.5 (4) | C1j—C5j—C7j | 118.6 (14) |
O10bx—Mo5bx—O21b | 154.1 (3) | C1j—C5j—H1c5j | 120.72 |
O10bx—Mo5bx—O23b | 115.2 (4) | C7j—C5j—H1c5j | 120.72 |
O7bx—Mo5bx—O21bx | 103.4 (7) | C6i—C6j—H1c6i | 104.45 |
O7bx—Mo5bx—Mo5b | 44.4 (7) | C6i—C6j—H3c6i | 89.56 |
O7bx—Mo5bx—O7b | 5.2 (7) | C6i—C6j—O24j | 66 (3) |
O7bx—Mo5bx—O10b | 92.9 (6) | C6i—C6j—H1c6j | 137.58 |
O7bx—Mo5bx—O15b | 170.1 (5) | C6i—C6j—H2c6j | 45.65 |
O7bx—Mo5bx—O21b | 89.6 (6) | C6i—C6j—H3c6j | 111.53 |
O7bx—Mo5bx—O23b | 91.7 (6) | H1c6i—C6j—H3c6i | 157.01 |
O21bx—Mo5bx—Mo5b | 60.3 (6) | H1c6i—C6j—O24j | 101.42 |
O21bx—Mo5bx—O7b | 99.8 (5) | H1c6i—C6j—H1c6j | 33.23 |
O21bx—Mo5bx—O10b | 153.1 (5) | H1c6i—C6j—H2c6j | 82.95 |
O21bx—Mo5bx—O15b | 76.4 (5) | H1c6i—C6j—H3c6j | 139.57 |
O21bx—Mo5bx—O21b | 13.8 (5) | H3c6i—C6j—O24j | 100.91 |
O21bx—Mo5bx—O23b | 90.6 (4) | H3c6i—C6j—H1c6j | 131.02 |
Mo5b—Mo5bx—O7b | 42.1 (5) | H3c6i—C6j—H2c6j | 94.68 |
Mo5b—Mo5bx—O10b | 136.8 (6) | H3c6i—C6j—H3c6j | 21.97 |
Mo5b—Mo5bx—O15b | 136.6 (5) | O24j—C6j—H1c6j | 109.47 |
Mo5b—Mo5bx—O21b | 46.5 (5) | O24j—C6j—H2c6j | 109.47 |
Mo5b—Mo5bx—O23b | 82.3 (5) | O24j—C6j—H3c6j | 109.47 |
O7b—Mo5bx—O10b | 94.7 (3) | H1c6j—C6j—H2c6j | 109.47 |
O7b—Mo5bx—O15b | 165.8 (3) | H1c6j—C6j—H3c6j | 109.47 |
O7b—Mo5bx—O21b | 86.2 (3) | H2c6j—C6j—H3c6j | 109.47 |
O7b—Mo5bx—O23b | 95.5 (3) | O24i—C7j—C2i | 118.7 (13) |
O10b—Mo5bx—O15b | 84.0 (3) | O24i—C7j—C5i | 136.8 (14) |
O10b—Mo5bx—O21b | 159.8 (3) | O24i—C7j—C7i | 145 (4) |
O10b—Mo5bx—O23b | 110.4 (3) | O24i—C7j—O24j | 13.9 (10) |
O15b—Mo5bx—O21b | 90.1 (2) | O24i—C7j—C2j | 111.4 (13) |
O15b—Mo5bx—O23b | 98.2 (3) | O24i—C7j—C5j | 126.5 (14) |
O21b—Mo5bx—O23b | 89.6 (3) | C2i—C7j—C5i | 101.2 (10) |
O10bx—Mo3bx—O19bx | 93.1 (7) | C2i—C7j—C7i | 48 (3) |
O10bx—Mo3bx—O16bx | 99.7 (7) | C2i—C7j—O24j | 122.6 (11) |
O10bx—Mo3bx—O12bx | 150.4 (5) | C2i—C7j—C2j | 8.5 (8) |
O10bx—Mo3bx—Mo3b | 56.7 (5) | C2i—C7j—C5j | 111.9 (11) |
O10bx—Mo3bx—O12b | 141.5 (3) | C5i—C7j—C7i | 58 (3) |
O10bx—Mo3bx—O16b | 88.2 (4) | C5i—C7j—O24j | 136.1 (12) |
O10bx—Mo3bx—O17b | 77.7 (4) | C5i—C7j—C2j | 109.4 (11) |
O10bx—Mo3bx—O19b | 93.5 (4) | C5i—C7j—C5j | 10.7 (9) |
O19bx—Mo3bx—O16bx | 103.2 (7) | C7i—C7j—O24j | 158 (4) |
O19bx—Mo3bx—O12bx | 103.2 (7) | C7i—C7j—C2j | 56 (3) |
O19bx—Mo3bx—Mo3b | 128.8 (7) | C7i—C7j—C5j | 68 (3) |
O19bx—Mo3bx—O12b | 119.8 (7) | O24j—C7j—C2j | 114.5 (12) |
O19bx—Mo3bx—O16b | 115.4 (5) | O24j—C7j—C5j | 125.5 (12) |
O19bx—Mo3bx—O17b | 89.1 (5) | C2j—C7j—C5j | 120.1 (12) |
O19bx—Mo3bx—O19b | 17.2 (5) | C1i—H1c1j—H1c1i | 83.25 |
O16bx—Mo3bx—O12bx | 100.3 (8) | C1i—H1c1j—C1j | 21.14 |
O16bx—Mo3bx—Mo3b | 52.5 (7) | H1c1i—H1c1j—C1j | 104.09 |
O16bx—Mo3bx—O12b | 91.9 (6) | C3i—H1c3j—H1c3i | 111.85 |
O16bx—Mo3bx—O16b | 16.2 (6) | C3i—H1c3j—C3j | 16.56 |
O16bx—Mo3bx—O17b | 167.6 (5) | H1c3i—H1c3j—C3j | 128.3 |
O16bx—Mo3bx—O19b | 86.1 (6) | C4i—H1c4j—H1c4i | 111.67 |
O12bx—Mo3bx—Mo3b | 123.4 (5) | C4i—H1c4j—C4j | 18.07 |
O12bx—Mo3bx—O12b | 17.0 (4) | H1c4i—H1c4j—C4j | 129.7 |
O12bx—Mo3bx—O16b | 106.1 (5) | H1c5i—H1c5j—C5j | 54.04 |
O12bx—Mo3bx—O17b | 78.1 (5) | H1c6i—H1c6j—C6j | 50.59 |
O12bx—Mo3bx—O19b | 109.4 (4) | C6i—H2c6j—H2c6i | 102.36 |
Mo3b—Mo3bx—O12b | 106.6 (4) | C6i—H2c6j—C6j | 26.2 |
Mo3b—Mo3bx—O16b | 36.7 (4) | H2c6i—H2c6j—C6j | 128.07 |
Mo3b—Mo3bx—O17b | 118.1 (4) | H3c6i—H3c6j—C6j | 62.19 |
Mo3b—Mo3bx—O19b | 115.4 (4) | N1i—H1n1j—H1n1i | 107 (12) |
O12b—Mo3bx—O16b | 94.0 (3) | N1i—H1n1j—N1j | 20 (2) |
O12b—Mo3bx—O17b | 83.2 (3) | H1n1i—H1n1j—N1j | 127 (12) |
O12b—Mo3bx—O19b | 124.0 (4) | H2n1i—H2n1j—N1j | 31 (10) |
O16b—Mo3bx—O17b | 152.5 (2) | O24g—O24k—C7g | 155 (4) |
O16b—Mo3bx—O19b | 98.2 (3) | O24g—O24k—C6k | 54 (3) |
O17b—Mo3bx—O19b | 106.0 (3) | O24g—O24k—C7k | 161 (4) |
O3bx—Mo2bx—O18bx | 98.1 (6) | C7g—O24k—C6k | 110.0 (14) |
O3bx—Mo2bx—O12bx | 95.4 (6) | C7g—O24k—C7k | 7.7 (8) |
O3bx—Mo2bx—O2bx | 102.0 (7) | C6k—O24k—C7k | 117.1 (13) |
O3bx—Mo2bx—Mo2b | 77.6 (7) | N1g—N1k—C2g | 86 (5) |
O3bx—Mo2bx—O2b | 117.0 (6) | N1g—N1k—H1n1g | 90 (9) |
O3bx—Mo2bx—O3b | 20.7 (5) | N1g—N1k—C2k | 99 (5) |
O3bx—Mo2bx—O18b | 79.5 (5) | N1g—N1k—H1n1k | 109 (9) |
O18bx—Mo2bx—O12bx | 150.6 (4) | N1g—N1k—H2n1k | 34 (7) |
O18bx—Mo2bx—O2bx | 106.4 (7) | C2g—N1k—H1n1g | 115 (4) |
O18bx—Mo2bx—Mo2b | 126.5 (7) | C2g—N1k—C2k | 12.8 (8) |
O18bx—Mo2bx—O2b | 104.2 (5) | C2g—N1k—H1n1k | 118 (3) |
O18bx—Mo2bx—O3b | 118.7 (4) | C2g—N1k—H2n1k | 106 (3) |
O18bx—Mo2bx—O18b | 19.6 (4) | H1n1g—N1k—C2k | 113 (4) |
O12bx—Mo2bx—O2bx | 96.1 (7) | H1n1g—N1k—H1n1k | 19 (5) |
O12bx—Mo2bx—Mo2b | 33.0 (6) | H1n1g—N1k—H2n1k | 106 (6) |
O12bx—Mo2bx—O2b | 92.6 (5) | C2k—N1k—H1n1k | 111 (3) |
O12bx—Mo2bx—O3b | 75.9 (4) | C2k—N1k—H2n1k | 118 (3) |
O12bx—Mo2bx—O18b | 147.6 (4) | H1n1k—N1k—H2n1k | 120 (5) |
O2bx—Mo2bx—Mo2b | 126.8 (8) | C1g—C1k—C4g | 133 (4) |
O2bx—Mo2bx—O2b | 15.1 (5) | C1g—C1k—H1c1g | 67.55 |
O2bx—Mo2bx—O3b | 96.8 (6) | C1g—C1k—C4k | 144 (4) |
O2bx—Mo2bx—O18b | 116.3 (6) | C1g—C1k—C5k | 24 (3) |
Mo2b—Mo2bx—O2b | 125.5 (6) | C1g—C1k—H1c1k | 96.15 |
Mo2b—Mo2bx—O3b | 64.4 (4) | C4g—C1k—H1c1g | 159.16 |
Mo2b—Mo2bx—O18b | 115.8 (6) | C4g—C1k—C4k | 11.3 (16) |
O2b—Mo2bx—O3b | 110.3 (4) | C4g—C1k—C5k | 110 (2) |
O2b—Mo2bx—O18b | 118.4 (4) | C4g—C1k—H1c1k | 130.76 |
O3b—Mo2bx—O18b | 99.8 (3) | H1c1g—C1k—C4k | 147.86 |
O5bx—P1bx—O14bx | 114.3 (7) | H1c1g—C1k—C5k | 91.18 |
O5bx—P1bx—O17bx | 104.7 (7) | H1c1g—C1k—H1c1k | 28.62 |
O5bx—P1bx—O11bx | 105.5 (7) | C4k—C1k—C5k | 120.8 (18) |
O5bx—P1bx—P1b | 69.0 (17) | C4k—C1k—H1c1k | 119.6 |
O5bx—P1bx—O14b | 109.0 (6) | C5k—C1k—H1c1k | 119.6 |
O5bx—P1bx—O17b | 94.1 (6) | N1g—C2k—C2g | 73 (3) |
O14bx—P1bx—O17bx | 105.7 (6) | N1g—C2k—C3g | 138.6 (14) |
O14bx—P1bx—O11bx | 113.7 (5) | N1g—C2k—N1k | 9.8 (11) |
O14bx—P1bx—P1b | 168 (2) | N1g—C2k—C3k | 129.0 (13) |
O14bx—P1bx—O14b | 5.3 (3) | N1g—C2k—C7k | 109.7 (13) |
O14bx—P1bx—O17b | 118.8 (6) | C2g—C2k—C3g | 148 (4) |
O17bx—P1bx—O11bx | 112.8 (5) | C2g—C2k—N1k | 83 (3) |
O17bx—P1bx—P1b | 84 (2) | C2g—C2k—C3k | 158 (4) |
O17bx—P1bx—O14b | 107.7 (5) | C2g—C2k—C7k | 37 (3) |
O17bx—P1bx—O17b | 13.9 (4) | C3g—C2k—N1k | 129.2 (15) |
O11bx—P1bx—P1b | 55.2 (15) | C3g—C2k—C3k | 10.3 (11) |
O11bx—P1bx—O14b | 116.4 (5) | C3g—C2k—C7k | 111.4 (14) |
O11bx—P1bx—O17b | 108.2 (5) | N1k—C2k—C3k | 119.4 (13) |
P1b—P1bx—O14b | 168 (2) | N1k—C2k—C7k | 119.3 (14) |
P1b—P1bx—O17b | 71 (2) | C3k—C2k—C7k | 121.2 (13) |
O14b—P1bx—O17b | 120.3 (4) | C3g—C3k—C4g | 70 (4) |
O15bx—P2bx—O22bx | 110.8 (6) | C3g—C3k—H1c3g | 136.94 |
O15bx—P2bx—O9bx | 107.7 (7) | C3g—C3k—C2k | 33 (3) |
O15bx—P2bx—O8bx | 104.1 (6) | C3g—C3k—C4k | 87 (4) |
O15bx—P2bx—P2b | 77 (2) | C3g—C3k—H1c3k | 150.66 |
O15bx—P2bx—O8b | 103.3 (5) | C4g—C3k—H1c3g | 146.34 |
O15bx—P2bx—O9b | 107.5 (6) | C4g—C3k—C2k | 102.0 (14) |
O22bx—P2bx—O9bx | 114.1 (7) | C4g—C3k—C4k | 16.8 (13) |
O22bx—P2bx—O8bx | 106.6 (6) | C4g—C3k—H1c3k | 137.33 |
O22bx—P2bx—P2b | 69 (2) | H1c3g—C3k—C2k | 109.61 |
O22bx—P2bx—O8b | 54.8 (4) | H1c3g—C3k—C4k | 130.63 |
O22bx—P2bx—O9b | 141.7 (6) | H1c3g—C3k—H1c3k | 14.49 |
O9bx—P2bx—O8bx | 113.0 (7) | C2k—C3k—C4k | 118.7 (15) |
O9bx—P2bx—P2b | 70 (2) | C2k—C3k—H1c3k | 120.64 |
O9bx—P2bx—O8b | 148.9 (7) | C4k—C3k—H1c3k | 120.64 |
O9bx—P2bx—O9b | 50.6 (7) | C3g—C4k—C4g | 77 (4) |
O8bx—P2bx—P2b | 176 (2) | C3g—C4k—H1c4g | 156.95 |
O8bx—P2bx—O8b | 55.5 (5) | C3g—C4k—C1k | 106.0 (18) |
O8bx—P2bx—O9b | 64.3 (4) | C3g—C4k—C3k | 14.8 (11) |
P2b—P2bx—O8b | 120 (2) | C3g—C4k—H1c4k | 134.27 |
P2b—P2bx—O9b | 119 (2) | C4g—C4k—H1c4g | 123.45 |
O8b—P2bx—O9b | 117.0 (5) | C4g—C4k—C1k | 29 (4) |
Mo2bx—O3bx—Mo2b | 11.72 (11) | C4g—C4k—C3k | 92 (4) |
Mo2bx—O3bx—O3b | 90.2 (10) | C4g—C4k—H1c4k | 147.87 |
Mo2b—O3bx—O3b | 82.4 (10) | H1c4g—C4k—C1k | 95.73 |
P1bx—O5bx—P1b | 6.2 (2) | H1c4g—C4k—C3k | 143.3 |
P1bx—O5bx—O5b | 96 (2) | H1c4g—C4k—H1c4k | 24.48 |
P1b—O5bx—O5b | 93 (2) | C1k—C4k—C3k | 120.6 (19) |
P1bx—O14bx—Mo1b | 120.4 (5) | C1k—C4k—H1c4k | 119.69 |
P1bx—O14bx—O14b | 35 (2) | C3k—C4k—H1c4k | 119.69 |
Mo1b—O14bx—O14b | 152 (3) | C1g—C5k—C5g | 151 (4) |
P2bx—O15bx—Mo3b | 141.9 (5) | C1g—C5k—C7g | 142.0 (19) |
P2bx—O15bx—P2b | 5.7 (2) | C1g—C5k—C1k | 10.7 (14) |
P2bx—O15bx—O15b | 92.5 (13) | C1g—C5k—C7k | 129.0 (19) |
Mo3b—O15bx—P2b | 147.3 (5) | C1g—C5k—H1c5k | 110.25 |
Mo3b—O15bx—O15b | 125.7 (14) | C5g—C5k—C7g | 64 (3) |
P2b—O15bx—O15b | 87.0 (13) | C5g—C5k—C1k | 161 (4) |
Mo1bx—O1bx—Mo4bx | 128.9 (8) | C5g—C5k—C7k | 77 (3) |
Mo1bx—O1bx—Mo4b | 129.2 (8) | C5g—C5k—H1c5k | 44.99 |
Mo1bx—O1bx—O1b | 49.6 (8) | C7g—C5k—C1k | 131.8 (14) |
Mo4bx—O1bx—Mo4b | 6.30 (9) | C7g—C5k—C7k | 13.4 (6) |
Mo4bx—O1bx—O1b | 82.8 (12) | C7g—C5k—H1c5k | 107.47 |
Mo4b—O1bx—O1b | 81.2 (11) | C1k—C5k—C7k | 118.6 (14) |
Mo1bx—O6bx—Mo1b | 14.01 (14) | C1k—C5k—H1c5k | 120.72 |
Mo1bx—O6bx—O6b | 87 (3) | C7k—C5k—H1c5k | 120.72 |
Mo1b—O6bx—O6b | 76 (3) | O24g—C6k—C6g | 106 (3) |
Mo5bx—O23bx—Mo5b | 10.90 (14) | O24g—C6k—H2c6g | 136.98 |
Mo5bx—O23bx—O23b | 83.7 (19) | O24g—C6k—O24k | 13.2 (7) |
Mo5b—O23bx—O23b | 73.0 (19) | O24g—C6k—H1c6k | 96.68 |
P1bx—O17bx—Mo2b | 142.4 (7) | O24g—C6k—H2c6k | 118.51 |
P1bx—O17bx—P1b | 6.6 (2) | O24g—C6k—H3c6k | 112.33 |
P1bx—O17bx—O17b | 90.5 (19) | C6g—C6k—H2c6g | 89.69 |
Mo2b—O17bx—P1b | 148.4 (7) | C6g—C6k—O24k | 119 (3) |
Mo2b—O17bx—O17b | 127 (2) | C6g—C6k—H1c6k | 22.79 |
P1b—O17bx—O17b | 84.6 (18) | C6g—C6k—H2c6k | 120.01 |
Mo1bx—O18bx—Mo2bx | 137.6 (5) | C6g—C6k—H3c6k | 86.69 |
Mo1bx—O18bx—Mo1b | 5.49 (12) | H2c6g—C6k—O24k | 133.26 |
Mo1bx—O18bx—Mo2b | 132.7 (5) | H2c6g—C6k—H1c6k | 82 |
Mo1bx—O18bx—O18b | 124.4 (16) | H2c6g—C6k—H2c6k | 30.39 |
Mo2bx—O18bx—Mo1b | 137.1 (6) | H2c6g—C6k—H3c6k | 108.45 |
Mo2bx—O18bx—Mo2b | 7.43 (9) | O24k—C6k—H1c6k | 109.47 |
Mo2bx—O18bx—O18b | 65.2 (12) | O24k—C6k—H2c6k | 109.47 |
Mo1b—O18bx—Mo2b | 131.6 (5) | O24k—C6k—H3c6k | 109.47 |
Mo1b—O18bx—O18b | 118.9 (16) | H1c6k—C6k—H2c6k | 109.47 |
Mo2b—O18bx—O18b | 62.0 (11) | H1c6k—C6k—H3c6k | 109.47 |
P1bx—O11bx—P1b | 5.7 (2) | H2c6k—C6k—H3c6k | 109.47 |
P1bx—O11bx—O11b | 104 (2) | C2g—C7k—C5g | 147.6 (15) |
P1b—O11bx—O11b | 108 (2) | C2g—C7k—C7g | 125 (3) |
Mo5bx—O10bx—Mo3bx | 120.0 (5) | C2g—C7k—O24k | 104.5 (13) |
Mo5bx—O10bx—Mo3b | 111.5 (6) | C2g—C7k—C2k | 10.0 (10) |
Mo5bx—O10bx—O10b | 34.5 (15) | C2g—C7k—C5k | 130.0 (14) |
Mo3bx—O10bx—Mo3b | 12.91 (11) | C5g—C7k—C7g | 87 (3) |
Mo3bx—O10bx—O10b | 138 (3) | C5g—C7k—O24k | 107.7 (11) |
Mo3b—O10bx—O10b | 125 (3) | C5g—C7k—C2k | 137.6 (13) |
Mo1bx—O13bx—Mo1b | 11.02 (13) | C5g—C7k—C5k | 18.1 (8) |
Mo1bx—O13bx—O13b | 70.7 (12) | C7g—C7k—O24k | 22 (2) |
Mo1b—O13bx—O13b | 59.7 (11) | C7g—C7k—C2k | 134 (3) |
Mo5bx—O7bx—Mo5b | 9.26 (17) | C7g—C7k—C5k | 105 (3) |
Mo5bx—O7bx—O7b | 142 (4) | O24k—C7k—C2k | 114.5 (12) |
Mo5b—O7bx—O7b | 137 (4) | O24k—C7k—C5k | 125.5 (12) |
Mo3bx—O19bx—Mo3b | 10.10 (14) | C2k—C7k—C5k | 120.1 (12) |
Mo3bx—O19bx—O19b | 54.3 (12) | H1c1g—H1c1k—C1k | 84.28 |
Mo3b—O19bx—O19b | 47.2 (11) | H1c3g—H1c3k—C3k | 27.57 |
Mo3bx—O16bx—Mo3b | 14.47 (17) | H1c4g—H1c4k—C4k | 37.41 |
Mo3bx—O16bx—O16b | 115 (2) | C5g—H1c5k—H1c5g | 104.6 |
Mo3b—O16bx—O16b | 101 (2) | C5g—H1c5k—C5k | 25.32 |
Mo4bx—O20bx—Mo4b | 6.18 (10) | H1c5g—H1c5k—C5k | 129.82 |
Mo4bx—O20bx—O20b | 71 (2) | C6g—H1c6k—H1c6g | 140.66 |
Mo4b—O20bx—O20b | 72 (2) | C6g—H1c6k—C6k | 16.67 |
Mo3bx—O12bx—Mo2bx | 123.9 (8) | H1c6g—H1c6k—C6k | 156.85 |
Mo3bx—O12bx—Mo2b | 118.1 (8) | H2c6g—H2c6k—C6k | 63.26 |
Mo3bx—O12bx—O12b | 62.9 (11) | C6g—H3c6k—H3c6g | 68.43 |
Mo2bx—O12bx—Mo2b | 6.44 (11) | C6g—H3c6k—C6k | 24.82 |
Mo2bx—O12bx—O12b | 110.3 (16) | H3c6g—H3c6k—C6k | 93.22 |
Mo2b—O12bx—O12b | 111.0 (16) | H1n1g—H1n1k—N1k | 72 (14) |
Mo4bx—O21bx—Mo5bx | 122.7 (4) | N1g—H2n1k—N1k | 13 (3) |
Mo4bx—O21bx—Mo4b | 6.00 (9) | O24h—O24l—C6h | 112 (4) |
Mo4bx—O21bx—Mo5b | 122.1 (4) | O24h—O24l—C6l | 128 (4) |
Mo4bx—O21bx—O21b | 76.6 (12) | O24h—O24l—C7l | 26 (3) |
Mo5bx—O21bx—Mo4b | 128.5 (4) | C6h—O24l—C6l | 15.9 (15) |
Mo5bx—O21bx—Mo5b | 9.67 (11) | C6h—O24l—C7l | 104.1 (13) |
Mo5bx—O21bx—O21b | 107.2 (14) | C6l—O24l—C7l | 117.1 (13) |
Mo4b—O21bx—Mo5b | 128.1 (4) | N1h—N1l—C2h | 68 (6) |
Mo4b—O21bx—O21b | 77.0 (12) | N1h—N1l—H2n1h | 148 (11) |
Mo5b—O21bx—O21b | 97.6 (14) | N1h—N1l—C2l | 79 (6) |
Mo4bx—O4bx—Mo4b | 1.77 (14) | N1h—N1l—H1n1l | 66 (8) |
Mo4bx—O4bx—O4b | 108.3 (19) | N1h—N1l—H2n1l | 152 (10) |
Mo4b—O4bx—O4b | 108.3 (19) | C2h—N1l—H2n1h | 131 (5) |
Mo2bx—O2bx—Mo2b | 8.18 (13) | C2h—N1l—C2l | 10.8 (7) |
Mo2bx—O2bx—O2b | 54.7 (19) | C2h—N1l—H1n1l | 106 (4) |
Mo2b—O2bx—O2b | 55.2 (19) | C2h—N1l—H2n1l | 128 (3) |
P2bx—O22bx—P2b | 5.5 (2) | H2n1h—N1l—C2l | 121 (5) |
P2bx—O22bx—O8b | 59.3 (6) | H2n1h—N1l—H1n1l | 119 (6) |
P2bx—O22bx—O22b | 66.2 (6) | H2n1h—N1l—H2n1l | 5 (5) |
P2b—O22bx—O8b | 64.5 (6) | C2l—N1l—H1n1l | 111 (4) |
P2b—O22bx—O22b | 61.9 (5) | C2l—N1l—H2n1l | 118 (3) |
O8b—O22bx—O22b | 122.9 (9) | H1n1l—N1l—H2n1l | 120 (5) |
P2bx—O9bx—P2b | 5.7 (3) | C1h—C1l—C5h | 151 (5) |
P2bx—O9bx—O9b | 61.3 (6) | C1h—C1l—C4l | 37 (4) |
P2b—O9bx—O9b | 66.9 (6) | C1h—C1l—C5l | 156 (5) |
P2bx—O8bx—O8b | 60.5 (5) | C1h—C1l—H1c1l | 82.96 |
C6a—O24a—C7a | 117.1 (6) | C5h—C1l—C4l | 115.2 (19) |
C2a—N1a—H1n1a | 111 (3) | C5h—C1l—C5l | 5.9 (11) |
C2a—N1a—H2n1a | 118 (3) | C5h—C1l—H1c1l | 125.15 |
H1n1a—N1a—H2n1a | 120 (4) | C4l—C1l—C5l | 120.8 (16) |
C4a—C1a—C5a | 120.8 (8) | C4l—C1l—H1c1l | 119.6 |
C4a—C1a—H1c1a | 119.6 | C5l—C1l—H1c1l | 119.6 |
C5a—C1a—H1c1a | 119.6 | N1h—C2l—C2h | 89 (4) |
N1a—C2a—C3a | 119.4 (7) | N1h—C2l—C7h | 140.1 (16) |
N1a—C2a—C7a | 119.3 (7) | N1h—C2l—N1l | 9.6 (10) |
C3a—C2a—C7a | 121.2 (8) | N1h—C2l—C3l | 109.8 (13) |
C2a—C3a—C4a | 118.7 (8) | N1h—C2l—C7l | 129.0 (15) |
C2a—C3a—H1c3a | 120.64 | C2h—C2l—C7h | 130 (5) |
C4a—C3a—H1c3a | 120.64 | C2h—C2l—N1l | 99 (4) |
C1a—C4a—C3a | 120.6 (9) | C2h—C2l—C3l | 21 (4) |
C1a—C4a—H1c4a | 119.69 | C2h—C2l—C7l | 141 (4) |
C3a—C4a—H1c4a | 119.69 | C7h—C2l—N1l | 130.5 (15) |
C1a—C5a—C7a | 118.6 (8) | C7h—C2l—C3l | 110.0 (15) |
C1a—C5a—H1c5a | 120.72 | C7h—C2l—C7l | 11.4 (9) |
C7a—C5a—H1c5a | 120.72 | N1l—C2l—C3l | 119.4 (13) |
O24a—C6a—H1c6a | 109.47 | N1l—C2l—C7l | 119.3 (14) |
O24a—C6a—H2c6a | 109.47 | C3l—C2l—C7l | 121.2 (14) |
O24a—C6a—H3c6a | 109.47 | C2h—C3l—C3h | 140 (7) |
H1c6a—C6a—H2c6a | 109.47 | C2h—C3l—C4h | 137.5 (17) |
H1c6a—C6a—H3c6a | 109.47 | C2h—C3l—C2l | 5.4 (9) |
H2c6a—C6a—H3c6a | 109.47 | C2h—C3l—C4l | 123.9 (16) |
O24a—C7a—C2a | 114.5 (7) | C2h—C3l—H1c3l | 115.47 |
O24a—C7a—C5a | 125.5 (7) | C3h—C3l—C4h | 74 (5) |
C2a—C7a—C5a | 120.1 (7) | C3h—C3l—C2l | 145 (7) |
C2bi—O24b—C3bi | 75 (4) | C3h—C3l—C4l | 89 (5) |
C2bi—O24b—C4bi | 155 (3) | C3h—C3l—H1c3l | 37.03 |
C2bi—O24b—C6b | 87 (3) | C4h—C3l—C2l | 132.6 (15) |
C2bi—O24b—C7b | 31.9 (13) | C4h—C3l—C4l | 15.0 (11) |
C3bi—O24b—C4bi | 86 (5) | C4h—C3l—H1c3l | 106.47 |
C3bi—O24b—C6b | 17 (3) | C2l—C3l—C4l | 118.7 (15) |
C3bi—O24b—C7b | 107 (5) | C2l—C3l—H1c3l | 120.64 |
C4bi—O24b—C6b | 79 (4) | C4l—C3l—H1c3l | 120.64 |
C4bi—O24b—C7b | 161 (3) | C1h—C4l—C3h | 144 (2) |
C6b—O24b—C7b | 117 (3) | C1h—C4l—C4h | 132 (5) |
C2b—N1b—C5bi | 54 (5) | C1h—C4l—C1l | 12.1 (10) |
C2b—N1b—H1c5bi | 96.12 | C1h—C4l—C3l | 132 (2) |
C2b—N1b—H1n1b | 111 (8) | C1h—C4l—H1c4l | 107.91 |
C2b—N1b—H2n1b | 118 (6) | C3h—C4l—C4h | 77 (4) |
C5bi—N1b—H1c5bi | 115.21 | C3h—C4l—C1l | 132.9 (18) |
C5bi—N1b—H1n1b | 113 (6) | C3h—C4l—C3l | 13.3 (9) |
C5bi—N1b—H2n1b | 74 (6) | C3h—C4l—H1c4l | 107.17 |
H1c5bi—N1b—H1n1b | 19.82 | C4h—C4l—C1l | 144 (5) |
H1c5bi—N1b—H2n1b | 139.71 | C4h—C4l—C3l | 90 (4) |
H1n1b—N1b—H2n1b | 120 (9) | C4h—C4l—H1c4l | 34.94 |
C4b—C1b—C5b | 121 (5) | C1l—C4l—C3l | 120.6 (17) |
C4b—C1b—H1c1b | 119.6 | C1l—C4l—H1c4l | 119.69 |
C5b—C1b—H1c1b | 119.6 | C3l—C4l—H1c4l | 119.69 |
O24bi—C2b—N1b | 155 (3) | C5h—C5l—C7h | 89 (3) |
O24bi—C2b—C3b | 38 (3) | C5h—C5l—H1c5h | 113.7 |
O24bi—C2b—C5bi | 159 (2) | C5h—C5l—C1l | 17 (3) |
O24bi—C2b—C7b | 84 (2) | C5h—C5l—C7l | 102 (4) |
O24bi—C2b—C7bi | 78 (3) | C5h—C5l—H1c5l | 136.51 |
N1b—C2b—C3b | 119 (3) | C7h—C5l—H1c5h | 154.68 |
N1b—C2b—C5bi | 31 (2) | C7h—C5l—C1l | 105.3 (14) |
N1b—C2b—C7b | 119 (3) | C7h—C5l—C7l | 13.4 (8) |
N1b—C2b—C7bi | 121 (3) | C7h—C5l—H1c5l | 133.98 |
C3b—C2b—C5bi | 147 (3) | H1c5h—C5l—C1l | 98.56 |
C3b—C2b—C7b | 121 (3) | H1c5h—C5l—C7l | 142.33 |
C3b—C2b—C7bi | 116 (4) | H1c5h—C5l—H1c5l | 23.03 |
C5bi—C2b—C7b | 90 (2) | C1l—C5l—C7l | 118.6 (15) |
C5bi—C2b—C7bi | 90 (3) | C1l—C5l—H1c5l | 120.72 |
C7b—C2b—C7bi | 17.7 (11) | C7l—C5l—H1c5l | 120.72 |
O24bi—C3b—C2b | 67 (4) | C6h—C6l—H1c6h | 126.59 |
O24bi—C3b—C4b | 54 (5) | C6h—C6l—H3c6h | 78.91 |
O24bi—C3b—C6bi | 139 (8) | C6h—C6l—O24l | 59 (3) |
O24bi—C3b—H1c3b | 164.62 | C6h—C6l—H1c6l | 148.53 |
C2b—C3b—C4b | 119 (4) | C6h—C6l—H2c6l | 56.73 |
C2b—C3b—C6bi | 134 (7) | C6h—C6l—H3c6l | 101.97 |
C2b—C3b—H1c3b | 120.64 | H1c6h—C6l—H3c6h | 153.17 |
C4b—C3b—C6bi | 103 (8) | H1c6h—C6l—O24l | 102.35 |
C4b—C3b—H1c3b | 120.64 | H1c6h—C6l—H1c6l | 22.26 |
C6bi—C3b—H1c3b | 25.94 | H1c6h—C6l—H2c6l | 93.29 |
O24bi—C4b—C1b | 82 (5) | H1c6h—C6l—H3c6l | 130.85 |
O24bi—C4b—C3b | 40 (3) | H3c6h—C6l—O24l | 98.38 |
O24bi—C4b—H1c4b | 155.77 | H3c6h—C6l—H1c6l | 132.48 |
C1b—C4b—C3b | 121 (6) | H3c6h—C6l—H2c6l | 95.67 |
C1b—C4b—H1c4b | 119.69 | H3c6h—C6l—H3c6l | 23.08 |
C3b—C4b—H1c4b | 119.69 | O24l—C6l—H1c6l | 109.47 |
N1bi—C5b—C1b | 112 (6) | O24l—C6l—H2c6l | 109.47 |
N1bi—C5b—C2bi | 94 (6) | O24l—C6l—H3c6l | 109.47 |
N1bi—C5b—C7b | 126 (6) | H1c6l—C6l—H2c6l | 109.47 |
N1bi—C5b—H1c5b | 19 | H1c6l—C6l—H3c6l | 109.47 |
N1bi—C5b—H2n1bi | 58 (6) | H2c6l—C6l—H3c6l | 109.47 |
C1b—C5b—C2bi | 147 (3) | O24h—C7l—C5h | 142.1 (13) |
C1b—C5b—C7b | 119 (3) | O24h—C7l—C7h | 151 (4) |
C1b—C5b—H1c5b | 120.72 | O24h—C7l—O24l | 7.9 (11) |
C1b—C5b—H2n1bi | 57 (5) | O24h—C7l—C2l | 110.3 (13) |
C2bi—C5b—C7b | 31.9 (15) | O24h—C7l—C5l | 129.1 (13) |
C2bi—C5b—H1c5b | 90.53 | C5h—C7l—C7h | 62 (3) |
C2bi—C5b—H2n1bi | 136 (5) | C5h—C7l—O24l | 139.0 (12) |
C7b—C5b—H1c5b | 120.72 | C5h—C7l—C2l | 106.6 (12) |
C7b—C5b—H2n1bi | 149 (3) | C5h—C7l—C5l | 13.6 (9) |
H1c5b—C5b—H2n1bi | 72.63 | C7h—C7l—O24l | 157 (3) |
O24b—C6b—C3bi | 24 (5) | C7h—C7l—C2l | 45 (3) |
O24b—C6b—H1c3bi | 140.64 | C7h—C7l—C5l | 76 (3) |
O24b—C6b—H1c6b | 109.47 | O24l—C7l—C2l | 114.5 (12) |
O24b—C6b—H2c6b | 109.47 | O24l—C7l—C5l | 125.5 (12) |
O24b—C6b—H3c6b | 109.47 | C2l—C7l—C5l | 120.1 (13) |
C3bi—C6b—H1c3bi | 116.99 | C1h—H1c1l—H1c1h | 74.04 |
C3bi—C6b—H1c6b | 122.12 | C1h—H1c1l—C1l | 22.4 |
C3bi—C6b—H2c6b | 85.8 | H1c1h—H1c1l—C1l | 96.44 |
C3bi—C6b—H3c6b | 117.15 | C3h—H1c3l—H1c3h | 125.65 |
H1c3bi—C6b—H1c6b | 99.39 | C3h—H1c3l—C3l | 15.67 |
H1c3bi—C6b—H2c6b | 33.28 | H1c3h—H1c3l—C3l | 140.82 |
H1c3bi—C6b—H3c6b | 84.24 | C4h—H1c4l—H1c4h | 119.97 |
H1c6b—C6b—H2c6b | 109.47 | C4h—H1c4l—C4l | 17.92 |
H1c6b—C6b—H3c6b | 109.47 | H1c4h—H1c4l—C4l | 137.8 |
H2c6b—C6b—H3c6b | 109.47 | H1c5h—H1c5l—C5l | 47.69 |
O24b—C7b—C2b | 114.5 (19) | H1c6h—H1c6l—C6l | 35.51 |
O24b—C7b—C2bi | 70 (3) | C6h—H2c6l—H2c6h | 93.36 |
O24b—C7b—C5b | 125 (2) | C6h—H2c6l—C6l | 24.86 |
O24b—C7b—C7bi | 116.4 (18) | H2c6h—H2c6l—C6l | 118.22 |
C2b—C7b—C2bi | 162 (2) | H3c6h—H3c6l—C6l | 77.14 |
C2b—C7b—C5b | 120 (2) | N1h—H1n1l—H1n1h | 95 (15) |
C2b—C7b—C7bi | 18.6 (13) | N1h—H1n1l—N1l | 16 (2) |
C2bi—C7b—C5b | 58 (3) | H1n1h—H1n1l—N1l | 111 (16) |
C2bi—C7b—C7bi | 144 (2) | H2n1h—H2n1l—N1l | 14 (15) |
C5b—C7b—C7bi | 115 (2) | C6m—O24m—C7m | 117.1 (11) |
C3b—H1c3b—C6bi | 37.06 | C6m—O24m—O24n | 115 (3) |
C3b—H1c3b—H2c6bi | 87.27 | C6m—O24m—C6n | 24.4 (9) |
C6bi—H1c3b—H2c6bi | 122.16 | C6m—O24m—C7n | 119.9 (12) |
N1bi—H1c5b—C5b | 45.79 | C7m—O24m—O24n | 128 (3) |
N1bi—H1c5b—H1n1bi | 148.05 | C7m—O24m—C6n | 141.4 (12) |
C5b—H1c5b—H1n1bi | 125.51 | C7m—O24m—C7n | 2.8 (7) |
C6b—H2c6b—H1c3bi | 24.56 | O24n—O24m—C6n | 91 (3) |
N1b—H1n1b—H1c5bi | 12.13 | O24n—O24m—C7n | 125 (3) |
N1b—H2n1b—C5bi | 48 (5) | C6n—O24m—C7n | 144.2 (13) |
C6c—O24c—C7c | 117.1 (7) | C2m—N1m—H1n1m | 111 (3) |
C2c—N1c—H1n1c | 111 (3) | C2m—N1m—H2n1m | 118 (3) |
C2c—N1c—H2n1c | 118 (3) | C2m—N1m—N1n | 76 (7) |
H1n1c—N1c—H2n1c | 120 (5) | C2m—N1m—C2n | 2.6 (7) |
C4c—C1c—C5c | 120.8 (10) | C2m—N1m—H2n1n | 130 (4) |
C4c—C1c—H1c1c | 119.6 | H1n1m—N1m—H2n1m | 120 (5) |
C5c—C1c—H1c1c | 119.6 | H1n1m—N1m—N1n | 75 (11) |
N1c—C2c—C3c | 119.4 (8) | H1n1m—N1m—C2n | 113 (3) |
N1c—C2c—C7c | 119.3 (8) | H1n1m—N1m—H2n1n | 115 (5) |
C3c—C2c—C7c | 121.2 (9) | H2n1m—N1m—N1n | 147 (12) |
C2c—C3c—C4c | 118.7 (10) | H2n1m—N1m—C2n | 115 (3) |
C2c—C3c—H1c3c | 120.64 | H2n1m—N1m—H2n1n | 17 (4) |
C4c—C3c—H1c3c | 120.64 | N1n—N1m—C2n | 78 (7) |
C1c—C4c—C3c | 120.6 (11) | N1n—N1m—H2n1n | 131 (11) |
C1c—C4c—H1c4c | 119.69 | C2n—N1m—H2n1n | 128 (4) |
C3c—C4c—H1c4c | 119.69 | C4m—C1m—C5m | 120.8 (15) |
C1c—C5c—C7c | 118.6 (9) | C4m—C1m—H1c1m | 119.6 |
C1c—C5c—H1c5c | 120.72 | C4m—C1m—C1n | 148 (3) |
C7c—C5c—H1c5c | 120.72 | C4m—C1m—C4n | 4 (2) |
O24c—C6c—H1c6c | 109.47 | C5m—C1m—H1c1m | 119.6 |
O24c—C6c—H2c6c | 109.47 | C5m—C1m—C1n | 28 (2) |
O24c—C6c—H3c6c | 109.47 | C5m—C1m—C4n | 117.9 (19) |
H1c6c—C6c—H2c6c | 109.47 | H1c1m—C1m—C1n | 92.08 |
H1c6c—C6c—H3c6c | 109.47 | H1c1m—C1m—C4n | 122.46 |
H2c6c—C6c—H3c6c | 109.47 | C1n—C1m—C4n | 145 (4) |
O24c—C7c—C2c | 114.5 (7) | N1m—C2m—C3m | 119.4 (12) |
O24c—C7c—C5c | 125.5 (7) | N1m—C2m—C7m | 119.3 (12) |
C2c—C7c—C5c | 120.1 (8) | N1m—C2m—N1n | 7.5 (9) |
C6d—O24d—C7d | 117.1 (7) | N1m—C2m—C2n | 110 (15) |
C2d—N1d—H1n1d | 111 (3) | N1m—C2m—C3n | 131.8 (13) |
C2d—N1d—H2n1d | 118 (3) | N1m—C2m—C7n | 109.6 (11) |
H1n1d—N1d—H2n1d | 120 (4) | C3m—C2m—C7m | 121.2 (12) |
C4d—C1d—C5d | 120.8 (9) | C3m—C2m—N1n | 112.1 (12) |
C4d—C1d—H1c1d | 119.6 | C3m—C2m—C2n | 129 (15) |
C5d—C1d—H1c1d | 119.6 | C3m—C2m—C3n | 12.4 (9) |
N1d—C2d—C3d | 119.4 (8) | C3m—C2m—C7n | 130.9 (12) |
N1d—C2d—C7d | 119.3 (8) | C7m—C2m—N1n | 126.6 (12) |
C3d—C2d—C7d | 121.2 (8) | C7m—C2m—C2n | 13 (17) |
C2d—C3d—C4d | 118.7 (10) | C7m—C2m—C3n | 108.9 (12) |
C2d—C3d—H1c3d | 120.64 | C7m—C2m—C7n | 9.7 (6) |
C4d—C3d—H1c3d | 120.64 | N1n—C2m—C2n | 117 (15) |
C1d—C4d—C3d | 120.6 (10) | N1n—C2m—C3n | 124.5 (13) |
C1d—C4d—H1c4d | 119.69 | N1n—C2m—C7n | 116.9 (12) |
C3d—C4d—H1c4d | 119.69 | C2n—C2m—C3n | 117 (15) |
C1d—C5d—C7d | 118.6 (9) | C2n—C2m—C7n | 10 (20) |
C1d—C5d—H1c5d | 120.72 | C3n—C2m—C7n | 118.6 (12) |
C7d—C5d—H1c5d | 120.72 | C2m—C3m—C4m | 118.7 (14) |
O24d—C6d—H1c6d | 109.47 | C2m—C3m—H1c3m | 120.64 |
O24d—C6d—H2c6d | 109.47 | C2m—C3m—C2n | 2.2 (8) |
O24d—C6d—H3c6d | 109.47 | C2m—C3m—C3n | 77 (4) |
H1c6d—C6d—H2c6d | 109.47 | C2m—C3m—H1c3n | 141.52 |
H1c6d—C6d—H3c6d | 109.47 | C4m—C3m—H1c3m | 120.64 |
H2c6d—C6d—H3c6d | 109.47 | C4m—C3m—C2n | 116.5 (14) |
O24d—C7d—C2d | 114.5 (7) | C4m—C3m—C3n | 42 (4) |
O24d—C7d—C5d | 125.5 (8) | C4m—C3m—H1c3n | 99.75 |
C2d—C7d—C5d | 120.1 (8) | H1c3m—C3m—C2n | 122.81 |
C6e—O24e—C7e | 117.1 (11) | H1c3m—C3m—C3n | 161.98 |
C6e—O24e—O24f | 103 (2) | H1c3m—C3m—H1c3n | 20.9 |
C6e—O24e—C6f | 19.1 (9) | C2n—C3m—C3n | 75 (4) |
C7e—O24e—O24f | 17 (2) | C2n—C3m—H1c3n | 143.7 |
C7e—O24e—C6f | 99.0 (10) | C3n—C3m—H1c3n | 141.14 |
O24f—O24e—C6f | 86 (2) | C1m—C4m—C3m | 120.6 (16) |
C2e—N1e—H1n1e | 111 (3) | C1m—C4m—H1c4m | 119.69 |
C2e—N1e—H2n1e | 118 (4) | C1m—C4m—C3n | 111.0 (17) |
C2e—N1e—N1f | 59 (2) | C1m—C4m—C4n | 7 (4) |
C2e—N1e—H1n1f | 99 (3) | C1m—C4m—H1c4n | 80.34 |
H1n1e—N1e—H2n1e | 120 (5) | C3m—C4m—H1c4m | 119.69 |
H1n1e—N1e—N1f | 126 (4) | C3m—C4m—C3n | 9.6 (9) |
H1n1e—N1e—H1n1f | 53 (5) | C3m—C4m—C4n | 115 (3) |
H2n1e—N1e—N1f | 108 (5) | C3m—C4m—H1c4n | 158.72 |
H2n1e—N1e—H1n1f | 139 (5) | H1c4m—C4m—C3n | 129.3 |
N1f—N1e—H1n1f | 75 (5) | H1c4m—C4m—C4n | 125.08 |
C4e—C1e—C5e | 120.8 (15) | H1c4m—C4m—H1c4n | 39.53 |
C4e—C1e—H1c1e | 119.6 | C3n—C4m—C4n | 105 (3) |
C4e—C1e—C1f | 72 (3) | C3n—C4m—H1c4n | 167.83 |
C4e—C1e—C5f | 122.8 (19) | C4n—C4m—H1c4n | 85.55 |
C5e—C1e—H1c1e | 119.6 | C1m—C5m—C7m | 118.6 (13) |
C5e—C1e—C1f | 135 (3) | C1m—C5m—H1c5m | 120.72 |
C5e—C1e—C5f | 19.9 (12) | C1m—C5m—C1n | 15.3 (13) |
H1c1e—C1e—C1f | 65.9 | C1m—C5m—C5n | 177 (4) |
H1c1e—C1e—C5f | 113.81 | C7m—C5m—H1c5m | 120.72 |
C1f—C1e—C5f | 115 (3) | C7m—C5m—C1n | 133.6 (18) |
N1e—C2e—C3e | 119.4 (14) | C7m—C5m—C5n | 63 (2) |
N1e—C2e—C7e | 119.3 (12) | H1c5m—C5m—C1n | 105.62 |
N1e—C2e—N1f | 27.3 (12) | H1c5m—C5m—C5n | 57.87 |
N1e—C2e—C2f | 132 (3) | C1n—C5m—C5n | 162 (3) |
N1e—C2e—C7f | 137.4 (13) | O24m—C6m—H1c6m | 109.47 |
C3e—C2e—C7e | 121.2 (13) | O24m—C6m—H2c6m | 109.47 |
C3e—C2e—N1f | 105.6 (13) | O24m—C6m—H3c6m | 109.47 |
C3e—C2e—C2f | 31 (3) | O24m—C6m—C6n | 73.0 (19) |
C3e—C2e—C7f | 103.2 (12) | O24m—C6m—H2c6n | 103.83 |
C7e—C2e—N1f | 127.3 (15) | O24m—C6m—H3c6n | 106.36 |
C7e—C2e—C2f | 102 (3) | H1c6m—C6m—H2c6m | 109.47 |
C7e—C2e—C7f | 18.1 (6) | H1c6m—C6m—H3c6m | 109.47 |
N1f—C2e—C2f | 107 (3) | H1c6m—C6m—C6n | 36.44 |
N1f—C2e—C7f | 142.7 (18) | H1c6m—C6m—H2c6n | 72.52 |
C2f—C2e—C7f | 86 (2) | H1c6m—C6m—H3c6n | 73.49 |
C2e—C3e—C4e | 118.7 (17) | H2c6m—C6m—H3c6m | 109.47 |
C2e—C3e—H1c3e | 120.64 | H2c6m—C6m—C6n | 122.85 |
C2e—C3e—C2f | 13.5 (12) | H2c6m—C6m—H2c6n | 42.37 |
C2e—C3e—C3f | 158 (5) | H2c6m—C6m—H3c6n | 140.1 |
C4e—C3e—H1c3e | 120.64 | H3c6m—C6m—C6n | 123.63 |
C4e—C3e—C2f | 111 (2) | H3c6m—C6m—H2c6n | 143.14 |
C4e—C3e—C3f | 49 (3) | H3c6m—C6m—H3c6n | 40.13 |
H1c3e—C3e—C2f | 127.41 | C6n—C6m—H2c6n | 80.75 |
H1c3e—C3e—C3f | 74.29 | C6n—C6m—H3c6n | 84.01 |
C2f—C3e—C3f | 144 (6) | H2c6n—C6m—H3c6n | 140.3 |
C1e—C4e—C3e | 120.6 (16) | O24m—C7m—C2m | 114.5 (10) |
C1e—C4e—H1c4e | 119.69 | O24m—C7m—C5m | 125.5 (11) |
C1e—C4e—C1f | 25.1 (12) | O24m—C7m—C2n | 114.0 (11) |
C1e—C4e—C3f | 135.3 (19) | O24m—C7m—C5n | 106.8 (11) |
C1e—C4e—C4f | 111 (4) | O24m—C7m—C7n | 13 (3) |
C3e—C4e—H1c4e | 119.69 | C2m—C7m—C5m | 120.1 (11) |
C3e—C4e—C1f | 135.1 (17) | C2m—C7m—C2n | 0.7 (10) |
C3e—C4e—C3f | 16.2 (10) | C2m—C7m—C5n | 138.7 (13) |
C3e—C4e—C4f | 122 (5) | C2m—C7m—C7n | 102 (4) |
H1c4e—C4e—C1f | 101.5 | C5m—C7m—C2n | 120.6 (12) |
H1c4e—C4e—C3f | 104.56 | C5m—C7m—C5n | 18.7 (9) |
H1c4e—C4e—C4f | 25.11 | C5m—C7m—C7n | 138 (4) |
C1f—C4e—C3f | 151.2 (19) | C2n—C7m—C5n | 139.2 (13) |
C1f—C4e—C4f | 88 (3) | C2n—C7m—C7n | 101 (4) |
C3f—C4e—C4f | 112 (4) | C5n—C7m—C7n | 120 (4) |
C1e—C5e—C7e | 118.6 (14) | C1m—H1c1m—H1c1n | 87.25 |
C1e—C5e—H1c5e | 120.72 | C3m—H1c3m—H1c3n | 40.58 |
C1e—C5e—C5f | 39.7 (19) | C4m—H1c4m—H1c4n | 62.5 |
C1e—C5e—C7f | 103.2 (15) | C5m—H1c5m—C5n | 28.09 |
C1e—C5e—H1c5f | 93.32 | C5m—H1c5m—H1c5n | 112.57 |
C7e—C5e—H1c5e | 120.72 | C5n—H1c5m—H1c5n | 84.48 |
C7e—C5e—C5f | 119 (3) | C6m—H1c6m—C6n | 36.75 |
C7e—C5e—C7f | 15.4 (7) | C6m—H1c6m—H1c6n | 132.13 |
C7e—C5e—H1c5f | 137.33 | C6n—H1c6m—H1c6n | 95.4 |
H1c5e—C5e—C5f | 106.32 | C6m—H2c6m—H2c6n | 60.07 |
H1c5e—C5e—C7f | 136.07 | C6m—H3c6m—H3c6n | 57.29 |
H1c5e—C5e—H1c5f | 39.07 | N1m—H1n1m—N1n | 12.7 (18) |
C5f—C5e—C7f | 107 (3) | N1m—H1n1m—H1n1n | 100 (19) |
C5f—C5e—H1c5f | 67.9 | N1n—H1n1m—H1n1n | 87 (18) |
C7f—C5e—H1c5f | 145.01 | N1m—H2n1m—H2n1n | 52 (12) |
O24e—C6e—H1c6e | 109.47 | O24m—O24n—C6n | 75 (3) |
O24e—C6e—H2c6e | 109.47 | O24m—O24n—C7n | 43 (2) |
O24e—C6e—H3c6e | 109.47 | C6n—O24n—C7n | 117.1 (11) |
O24e—C6e—C6f | 75 (3) | N1m—N1n—C2m | 97 (7) |
O24e—C6e—H1c6f | 117.65 | N1m—N1n—H1n1m | 92 (12) |
H1c6e—C6e—H2c6e | 109.47 | N1m—N1n—C2n | 94 (7) |
H1c6e—C6e—H3c6e | 109.47 | N1m—N1n—H1n1n | 109 (13) |
H1c6e—C6e—C6f | 164.48 | N1m—N1n—H2n1n | 39 (9) |
H1c6e—C6e—H1c6f | 8.49 | C2m—N1n—H1n1m | 117 (4) |
H2c6e—C6e—H3c6e | 109.47 | C2m—N1n—C2n | 2.5 (7) |
H2c6e—C6e—C6f | 55.55 | C2m—N1n—H1n1n | 110 (3) |
H2c6e—C6e—H1c6f | 103.36 | C2m—N1n—H2n1n | 120 (3) |
H3c6e—C6e—C6f | 81.64 | H1n1m—N1n—C2n | 118 (4) |
H3c6e—C6e—H1c6f | 107.09 | H1n1m—N1n—H1n1n | 17 (4) |
C6f—C6e—H1c6f | 158.86 | H1n1m—N1n—H2n1n | 105 (5) |
O24e—C7e—C2e | 114.5 (10) | C2n—N1n—H1n1n | 111 (3) |
O24e—C7e—C5e | 125.5 (12) | C2n—N1n—H2n1n | 118 (3) |
O24e—C7e—O24f | 7.7 (10) | H1n1n—N1n—H2n1n | 120 (5) |
O24e—C7e—C2f | 129.6 (10) | C1m—C1n—C5m | 137 (3) |
O24e—C7e—C7f | 170 (2) | C1m—C1n—C4n | 22 (2) |
C2e—C7e—C5e | 120.1 (11) | C1m—C1n—C5n | 142 (3) |
C2e—C7e—O24f | 120.5 (13) | C1m—C1n—H1c1n | 97.75 |
C2e—C7e—C2f | 17.1 (8) | C5m—C1n—C4n | 115.4 (17) |
C2e—C7e—C7f | 75 (2) | C5m—C1n—C5n | 5.6 (10) |
C5e—C7e—O24f | 119.2 (14) | C5m—C1n—H1c1n | 124.94 |
C5e—C7e—C2f | 104.4 (10) | C4n—C1n—C5n | 120.8 (14) |
C5e—C7e—C7f | 45 (2) | C4n—C1n—H1c1n | 119.6 |
O24f—C7e—C2f | 134.7 (12) | C5n—C1n—H1c1n | 119.6 |
O24f—C7e—C7f | 165 (3) | N1m—C2n—C2m | 67 (14) |
C2f—C7e—C7f | 60 (2) | N1m—C2n—C3m | 114.7 (12) |
C1e—H1c1e—C1f | 36.89 | N1m—C2n—C7m | 122.4 (12) |
C1e—H1c1e—H1c1f | 106.62 | N1m—C2n—N1n | 7.4 (9) |
C1f—H1c1e—H1c1f | 70.2 | N1m—C2n—C3n | 126.6 (12) |
C3e—H1c3e—C3f | 25.77 | N1m—C2n—C7n | 112.1 (11) |
C3e—H1c3e—H1c3f | 101.96 | C2m—C2n—C3m | 48 (15) |
C3f—H1c3e—H1c3f | 77.52 | C2m—C2n—C7m | 167 (18) |
C4e—H1c4e—C4f | 18.95 | C2m—C2n—N1n | 60 (14) |
C4e—H1c4e—H1c4f | 149.28 | C2m—C2n—C3n | 60 (15) |
C4f—H1c4e—H1c4f | 130.46 | C2m—C2n—C7n | 170 (20) |
C5e—H1c5e—H1c5f | 75.42 | C3m—C2n—C7m | 122.9 (12) |
C6e—H1c6e—H1c6f | 9.18 | C3m—C2n—N1n | 107.5 (11) |
C6e—H2c6e—C6f | 29.33 | C3m—C2n—C3n | 11.9 (9) |
C6e—H2c6e—H2c6f | 121.6 | C3m—C2n—C7n | 133.1 (12) |
C6f—H2c6e—H2c6f | 96.16 | C7m—C2n—N1n | 129.6 (12) |
C6e—H3c6e—C6f | 27.65 | C7m—C2n—C3n | 111.0 (12) |
C6e—H3c6e—H3c6f | 93.91 | C7m—C2n—C7n | 10.2 (7) |
C6f—H3c6e—H3c6f | 67.27 | N1n—C2n—C3n | 119.4 (12) |
N1e—H1n1e—H1n1f | 55 (6) | N1n—C2n—C7n | 119.3 (12) |
N1e—H2n1e—H2n1f | 73 (5) | C3n—C2n—C7n | 121.2 (12) |
O24e—O24f—C7e | 156 (3) | C2m—C3n—C3m | 90 (4) |
O24e—O24f—C6f | 76 (2) | C2m—C3n—C4m | 140.7 (16) |
O24e—O24f—C7f | 159 (3) | C2m—C3n—C2n | 2.6 (8) |
C7e—O24f—C6f | 121.7 (13) | C2m—C3n—C4n | 121.3 (14) |
C7e—O24f—C7f | 4.8 (8) | C2m—C3n—H1c3n | 118.05 |
C6f—O24f—C7f | 117.1 (10) | C3m—C3n—C4m | 129 (5) |
N1e—N1f—C2e | 94 (2) | C3m—C3n—C2n | 93 (4) |
N1e—N1f—C2f | 110 (2) | C3m—C3n—C4n | 148 (5) |
N1e—N1f—H1n1f | 57 (4) | C3m—C3n—H1c3n | 27.68 |
N1e—N1f—H2n1f | 76 (4) | C4m—C3n—C2n | 138.0 (16) |
C2e—N1f—C2f | 17.5 (8) | C4m—C3n—C4n | 19.5 (12) |
C2e—N1f—H1n1f | 109 (4) | C4m—C3n—H1c3n | 101.27 |
C2e—N1f—H2n1f | 108 (3) | C2n—C3n—C4n | 118.7 (14) |
C2f—N1f—H1n1f | 111 (3) | C2n—C3n—H1c3n | 120.64 |
C2f—N1f—H2n1f | 118 (3) | C4n—C3n—H1c3n | 120.64 |
H1n1f—N1f—H2n1f | 120 (5) | C1m—C4n—C4m | 169 (6) |
C1e—C1f—C4e | 83 (3) | C1m—C4n—C1n | 13.0 (14) |
C1e—C1f—H1c1e | 77.21 | C1m—C4n—C3n | 133 (2) |
C1e—C1f—C4f | 101 (3) | C1m—C4n—H1c4n | 107.07 |
C1e—C1f—C5f | 42 (2) | C4m—C4n—C1n | 174 (5) |
C1e—C1f—H1c1f | 124.6 | C4m—C4n—C3n | 55 (3) |
C4e—C1f—H1c1e | 131.36 | C4m—C4n—H1c4n | 64.72 |
C4e—C1f—C4f | 18.9 (12) | C1n—C4n—C3n | 120.6 (16) |
C4e—C1f—C5f | 102.8 (13) | C1n—C4n—H1c4n | 119.69 |
C4e—C1f—H1c1f | 137.13 | C3n—C4n—H1c4n | 119.69 |
H1c1e—C1f—C4f | 130.06 | C5m—C5n—C7m | 98 (3) |
H1c1e—C1f—C5f | 90.94 | C5m—C5n—H1c5m | 94.04 |
H1c1e—C1f—H1c1f | 48.08 | C5m—C5n—C1n | 12 (2) |
C4f—C1f—C5f | 120.8 (13) | C5m—C5n—C7n | 107 (3) |
C4f—C1f—H1c1f | 119.6 | C5m—C5n—H1c5n | 131.88 |
C5f—C1f—H1c1f | 119.6 | C7m—C5n—H1c5m | 167.13 |
C2e—C2f—C3e | 135 (4) | C7m—C5n—C1n | 109.7 (13) |
C2e—C2f—C7e | 61 (2) | C7m—C5n—C7n | 8.9 (7) |
C2e—C2f—N1f | 55 (2) | C7m—C5n—H1c5n | 129.6 |
C2e—C2f—C3f | 146 (4) | H1c5m—C5n—C1n | 82.96 |
C2e—C2f—C7f | 75 (2) | H1c5m—C5n—C7n | 158.35 |
C3e—C2f—C7e | 139.8 (15) | H1c5m—C5n—H1c5n | 37.84 |
C3e—C2f—N1f | 114.9 (16) | C1n—C5n—C7n | 118.6 (13) |
C3e—C2f—C3f | 10.2 (16) | C1n—C5n—H1c5n | 120.72 |
C3e—C2f—C7f | 124.8 (15) | C7n—C5n—H1c5n | 120.72 |
C7e—C2f—N1f | 103.7 (10) | O24m—C6n—C6m | 83 (2) |
C7e—C2f—C3f | 136.9 (12) | O24m—C6n—H1c6m | 170.58 |
C7e—C2f—C7f | 15.7 (6) | O24m—C6n—O24n | 14.7 (6) |
N1f—C2f—C3f | 119.4 (12) | O24m—C6n—H1c6n | 124.14 |
N1f—C2f—C7f | 119.3 (11) | O24m—C6n—H2c6n | 101.58 |
C3f—C2f—C7f | 121.2 (12) | O24m—C6n—H3c6n | 101.85 |
C3e—C3f—C4e | 114 (3) | C6m—C6n—H1c6m | 106.81 |
C3e—C3f—H1c3e | 79.94 | C6m—C6n—O24n | 97 (2) |
C3e—C3f—C2f | 25 (4) | C6m—C6n—H1c6n | 153.22 |
C3e—C3f—C4f | 126 (3) | C6m—C6n—H2c6n | 61.16 |
C3e—C3f—H1c3f | 108.17 | C6m—C6n—H3c6n | 57.56 |
C4e—C3f—H1c3e | 156.01 | H1c6m—C6n—O24n | 155.91 |
C4e—C3f—C2f | 102.6 (16) | H1c6m—C6n—H1c6n | 46.45 |
C4e—C3f—C4f | 17.5 (15) | H1c6m—C6n—H2c6n | 83.96 |
C4e—C3f—H1c3f | 136.22 | H1c6m—C6n—H3c6n | 83.18 |
H1c3e—C3f—C2f | 97.67 | O24n—C6n—H1c6n | 109.47 |
H1c3e—C3f—C4f | 138.67 | O24n—C6n—H2c6n | 109.47 |
H1c3e—C3f—H1c3f | 29.81 | O24n—C6n—H3c6n | 109.47 |
C2f—C3f—C4f | 118.7 (15) | H1c6n—C6n—H2c6n | 109.47 |
C2f—C3f—H1c3f | 120.64 | H1c6n—C6n—H3c6n | 109.47 |
C4f—C3f—H1c3f | 120.64 | H2c6n—C6n—H3c6n | 109.47 |
C4e—C4f—H1c4e | 135.94 | O24m—C7n—C2m | 127.0 (11) |
C4e—C4f—C1f | 74 (4) | O24m—C7n—C7m | 164 (4) |
C4e—C4f—C3f | 51 (3) | O24m—C7n—O24n | 12.6 (7) |
C4e—C4f—H1c4f | 157.63 | O24m—C7n—C2n | 127.0 (12) |
H1c4e—C4f—C1f | 125.34 | O24m—C7n—C5n | 112.9 (12) |
H1c4e—C4f—C3f | 109.92 | C2m—C7n—C7m | 69 (4) |
H1c4e—C4f—H1c4f | 21.87 | C2m—C7n—O24n | 114.4 (10) |
C1f—C4f—C3f | 120.6 (15) | C2m—C7n—C2n | 0.5 (11) |
C1f—C4f—H1c4f | 119.69 | C2m—C7n—C5n | 120.1 (11) |
C3f—C4f—H1c4f | 119.69 | C7m—C7n—O24n | 177 (4) |
C1e—C5f—C5e | 120 (3) | C7m—C7n—C2n | 69 (4) |
C1e—C5f—C1f | 22.6 (15) | C7m—C7n—C5n | 51 (3) |
C1e—C5f—C7f | 108.9 (15) | O24n—C7n—C2n | 114.5 (10) |
C1e—C5f—H1c5f | 125.84 | O24n—C7n—C5n | 125.5 (11) |
C5e—C5f—C1f | 143 (3) | C2n—C7n—C5n | 120.1 (12) |
C5e—C5f—C7f | 51 (2) | H1c1m—H1c1n—C1n | 82.92 |
C5e—C5f—H1c5f | 80.2 | C3m—H1c3n—H1c3m | 118.52 |
C1f—C5f—C7f | 118.6 (13) | C3m—H1c3n—C3n | 11.18 |
C1f—C5f—H1c5f | 120.72 | H1c3m—H1c3n—C3n | 129.68 |
C7f—C5f—H1c5f | 120.72 | C4m—H1c4n—H1c4m | 77.97 |
O24e—C6f—C6e | 86 (3) | C4m—H1c4n—C4n | 29.73 |
O24e—C6f—H2c6e | 126.84 | H1c4m—H1c4n—C4n | 107.7 |
O24e—C6f—H3c6e | 109.77 | H1c5m—H1c5n—C5n | 57.67 |
O24e—C6f—O24f | 17.9 (6) | H1c6m—H1c6n—C6n | 38.15 |
O24e—C6f—H1c6f | 92.75 | C6m—H2c6n—H2c6m | 77.55 |
O24e—C6f—H2c6f | 111.04 | C6m—H2c6n—C6n | 38.09 |
O24e—C6f—H3c6f | 123 | H2c6m—H2c6n—C6n | 115.41 |
C6e—C6f—H2c6e | 95.12 | C6m—H3c6n—H3c6m | 82.58 |
C6e—C6f—H3c6e | 70.7 | C6m—H3c6n—C6n | 38.43 |
C6e—C6f—O24f | 101 (3) | H3c6m—H3c6n—C6n | 120.54 |
C6e—C6f—H1c6f | 10.93 | H1n1m—H1n1n—N1n | 75 (17) |
C6e—C6f—H2c6f | 119.84 | N1m—H2n1n—H2n1m | 111 (13) |
C6e—C6f—H3c6f | 106.79 | N1m—H2n1n—N1n | 10 (2) |
H2c6e—C6f—H3c6e | 120.55 | H2n1m—H2n1n—N1n | 120 (13) |
H2c6e—C6f—O24f | 132.59 | C1oii—O24o—C4oii | 66 (4) |
H2c6e—C6f—H1c6f | 84.23 | C1oii—O24o—C5oii | 125 (5) |
H2c6e—C6f—H2c6f | 28.43 | C1oii—O24o—C6o | 88 (4) |
H2c6e—C6f—H3c6f | 107.65 | C1oii—O24o—C7o | 155 (4) |
H3c6e—C6f—O24f | 106.85 | C4oii—O24o—C5oii | 169 (4) |
H3c6e—C6f—H1c6f | 75.81 | C4oii—O24o—C6o | 22 (3) |
H3c6e—C6f—H2c6f | 138.45 | C4oii—O24o—C7o | 139 (3) |
H3c6e—C6f—H3c6f | 37.51 | C5oii—O24o—C6o | 147 (4) |
O24f—C6f—H1c6f | 109.47 | C5oii—O24o—C7o | 30 (2) |
O24f—C6f—H2c6f | 109.47 | C6o—O24o—C7o | 117 (3) |
O24f—C6f—H3c6f | 109.47 | C2o—N1o—H1n1o | 111 (6) |
H1c6f—C6f—H2c6f | 109.47 | C2o—N1o—H2n1o | 118 (5) |
H1c6f—C6f—H3c6f | 109.47 | H1n1o—N1o—H2n1o | 120 (7) |
H2c6f—C6f—H3c6f | 109.47 | O24oii—C1o—C4o | 89 (5) |
C2e—C7f—C5e | 153.3 (13) | O24oii—C1o—C5o | 32 (3) |
C2e—C7f—C7e | 87 (2) | O24oii—C1o—C6oii | 67 (4) |
C2e—C7f—O24f | 97.7 (10) | O24oii—C1o—H1c1o | 151.67 |
C2e—C7f—C2f | 19.6 (8) | C4o—C1o—C5o | 121 (4) |
C2e—C7f—C5f | 135.7 (12) | C4o—C1o—C6oii | 22 (3) |
C5e—C7f—C7e | 119 (3) | C4o—C1o—H1c1o | 119.6 |
C5e—C7f—O24f | 108.5 (12) | C5o—C1o—C6oii | 99 (4) |
C5e—C7f—C2f | 134.4 (12) | C5o—C1o—H1c1o | 119.6 |
C5e—C7f—C5f | 22.0 (11) | C6oii—C1o—H1c1o | 141.14 |
C7e—C7f—O24f | 11 (2) | N1o—C2o—C3o | 119 (2) |
C7e—C7f—C2f | 104 (2) | N1o—C2o—C5oii | 89 (2) |
C7e—C7f—C5f | 136 (2) | N1o—C2o—C7o | 119 (2) |
O24f—C7f—C2f | 114.5 (10) | N1o—C2o—H1c5oii | 48.38 |
O24f—C7f—C5f | 125.5 (11) | C3o—C2o—C5oii | 152 (3) |
C2f—C7f—C5f | 120.1 (11) | C3o—C2o—C7o | 121 (2) |
H1c1e—H1c1f—C1f | 61.72 | C3o—C2o—H1c5oii | 167.71 |
H1c3e—H1c3f—C3f | 72.67 | C5oii—C2o—C7o | 30.7 (13) |
H1c4e—H1c4f—C4f | 27.66 | C5oii—C2o—H1c5oii | 40.26 |
C5e—H1c5f—H1c5e | 65.5 | C7o—C2o—H1c5oii | 70.97 |
C5e—H1c5f—C5f | 31.9 | C2o—C3o—C4o | 119 (3) |
H1c5e—H1c5f—C5f | 96.89 | C2o—C3o—C6oii | 104 (4) |
C6e—H1c6f—H1c6e | 162.33 | C2o—C3o—H1c3o | 120.64 |
C6e—H1c6f—C6f | 10.22 | C2o—C3o—H2c6oii | 93.41 |
H1c6e—H1c6f—C6f | 168.3 | C2o—C3o—H3c6oii | 87.99 |
H2c6e—H2c6f—C6f | 55.4 | C4o—C3o—C6oii | 15 (3) |
H3c6e—H3c6f—C6f | 75.21 | C4o—C3o—H1c3o | 120.64 |
N1e—H1n1f—H1n1e | 72 (6) | C4o—C3o—H2c6oii | 66.79 |
N1e—H1n1f—N1f | 48 (4) | C4o—C3o—H3c6oii | 71.72 |
H1n1e—H1n1f—N1f | 119 (7) | C6oii—C3o—H1c3o | 135.71 |
H2n1e—H2n1f—N1f | 103 (8) | C6oii—C3o—H2c6oii | 66.57 |
C6g—O24g—C7g | 117.1 (12) | C6oii—C3o—H3c6oii | 67.69 |
C6g—O24g—O24k | 130 (3) | H1c3o—C3o—H2c6oii | 109.17 |
C6g—O24g—C6k | 16.8 (10) | H1c3o—C3o—H3c6oii | 110 |
C7g—O24g—O24k | 19 (3) | H2c6oii—C3o—H3c6oii | 133.2 |
C7g—O24g—C6k | 101.8 (13) | O24oii—C4o—C1o | 26 (3) |
O24k—O24g—C6k | 113 (3) | O24oii—C4o—C3o | 95 (4) |
C2g—N1g—H1n1g | 111 (3) | O24oii—C4o—C6oii | 72 (5) |
C2g—N1g—H2n1g | 118 (3) | O24oii—C4o—H1c4o | 145.29 |
C2g—N1g—N1k | 83 (6) | O24oii—C4o—H1c6oii | 158.19 |
C2g—N1g—C2k | 12.3 (8) | C1o—C4o—C3o | 121 (4) |
C2g—N1g—H2n1k | 120 (4) | C1o—C4o—C6oii | 97 (6) |
H1n1g—N1g—H2n1g | 120 (5) | C1o—C4o—H1c4o | 119.69 |
H1n1g—N1g—N1k | 72 (8) | C1o—C4o—H1c6oii | 133.9 |
H1n1g—N1g—C2k | 105 (3) | C3o—C4o—C6oii | 23 (4) |
H1n1g—N1g—H2n1k | 123 (6) | C3o—C4o—H1c4o | 119.69 |
H2n1g—N1g—N1k | 142 (8) | C3o—C4o—H1c6oii | 104.59 |
H2n1g—N1g—C2k | 129 (3) | C6oii—C4o—H1c4o | 143.03 |
H2n1g—N1g—H2n1k | 9 (6) | C6oii—C4o—H1c6oii | 127.18 |
N1k—N1g—C2k | 71 (5) | H1c4o—C4o—H1c6oii | 17.4 |
N1k—N1g—H2n1k | 133 (9) | O24oii—C5o—C1o | 23 (3) |
C2k—N1g—H2n1k | 130 (4) | O24oii—C5o—C2oii | 175 (4) |
C4g—C1g—C5g | 120.8 (18) | O24oii—C5o—C7o | 96 (3) |
C4g—C1g—H1c1g | 119.6 | O24oii—C5o—C7oii | 113 (3) |
C4g—C1g—C1k | 33 (3) | O24oii—C5o—H1c5o | 143.41 |
C4g—C1g—C5k | 113 (2) | C1o—C5o—C2oii | 152 (3) |
C5g—C1g—H1c1g | 119.6 | C1o—C5o—C7o | 119 (2) |
C5g—C1g—C1k | 154 (4) | C1o—C5o—C7oii | 136 (3) |
C5g—C1g—C5k | 8.9 (11) | C1o—C5o—H1c5o | 120.72 |
H1c1g—C1g—C1k | 86.59 | C2oii—C5o—C7o | 89 (2) |
H1c1g—C1g—C5k | 127.43 | C2oii—C5o—C7oii | 72 (2) |
C1k—C1g—C5k | 145 (4) | C2oii—C5o—H1c5o | 31.35 |
N1g—C2g—C3g | 119.4 (13) | C7o—C5o—C7oii | 17.5 (12) |
N1g—C2g—C7g | 119.3 (14) | C7o—C5o—H1c5o | 120.72 |
N1g—C2g—N1k | 10.3 (12) | C7oii—C5o—H1c5o | 103.29 |
N1g—C2g—C2k | 95 (3) | O24o—C6o—C1oii | 25 (2) |
N1g—C2g—C7k | 131.9 (16) | O24o—C6o—C3oii | 132 (5) |
C3g—C2g—C7g | 121.2 (13) | O24o—C6o—C4oii | 86 (5) |
C3g—C2g—N1k | 109.4 (13) | O24o—C6o—H1c6o | 109.47 |
C3g—C2g—C2k | 25 (3) | O24o—C6o—H2c6o | 109.47 |
C3g—C2g—C7k | 108.6 (14) | O24o—C6o—H3c6o | 109.47 |
C7g—C2g—N1k | 129.4 (14) | C1oii—C6o—C3oii | 157 (5) |
C7g—C2g—C2k | 145 (4) | C1oii—C6o—C4oii | 61 (5) |
C7g—C2g—C7k | 12.8 (8) | C1oii—C6o—H1c6o | 84.78 |
N1k—C2g—C2k | 85 (3) | C1oii—C6o—H2c6o | 118.37 |
N1k—C2g—C7k | 142.0 (16) | C1oii—C6o—H3c6o | 121.6 |
C2k—C2g—C7k | 133 (4) | C3oii—C6o—C4oii | 141 (7) |
C2g—C3g—C4g | 118.7 (15) | C3oii—C6o—H1c6o | 118.04 |
C2g—C3g—H1c3g | 120.64 | C3oii—C6o—H2c6o | 55.99 |
C2g—C3g—C2k | 7.2 (9) | C3oii—C6o—H3c6o | 54.12 |
C2g—C3g—C3k | 144 (4) | C4oii—C6o—H1c6o | 24.11 |
C2g—C3g—C4k | 135.8 (15) | C4oii—C6o—H2c6o | 114.51 |
C4g—C3g—H1c3g | 120.64 | C4oii—C6o—H3c6o | 124.64 |
C4g—C3g—C2k | 125.7 (17) | H1c6o—C6o—H2c6o | 109.47 |
C4g—C3g—C3k | 95 (4) | H1c6o—C6o—H3c6o | 109.47 |
C4g—C3g—C4k | 17.3 (13) | H2c6o—C6o—H3c6o | 109.47 |
H1c3g—C3g—C2k | 113.62 | O24o—C7o—C2o | 114.5 (16) |
H1c3g—C3g—C3k | 28.15 | O24o—C7o—C5o | 125.5 (15) |
H1c3g—C3g—C4k | 103.46 | O24o—C7o—C5oii | 37 (2) |
C2k—C3g—C3k | 137 (4) | O24o—C7o—C7oii | 107.9 (16) |
C2k—C3g—C4k | 142.7 (17) | C2o—C7o—C5o | 120.1 (17) |
C3k—C3g—C4k | 78 (4) | C2o—C7o—C5oii | 77 (2) |
C1g—C4g—C3g | 120.6 (19) | C2o—C7o—C7oii | 137.7 (19) |
C1g—C4g—H1c4g | 119.69 | C5o—C7o—C5oii | 163 (2) |
C1g—C4g—C1k | 13.9 (14) | C5o—C7o—C7oii | 17.6 (14) |
C1g—C4g—C3k | 134.5 (19) | C5oii—C7o—C7oii | 145 (2) |
C1g—C4g—C4k | 153 (5) | C4o—H1c4o—H1c6oii | 16.71 |
C3g—C4g—H1c4g | 119.69 | C2oii—H1c5o—C5o | 108.39 |
C3g—C4g—C1k | 134 (2) | C4oii—H1c6o—C6o | 28.71 |
C3g—C4g—C3k | 14.3 (12) | C4oii—H1c6o—H1c4oii | 145.88 |
C3g—C4g—C4k | 85 (4) | C6o—H1c6o—H1c4oii | 167.79 |
H1c4g—C4g—C1k | 105.84 | C3oii—H2c6o—C6o | 57.44 |
H1c4g—C4g—C3k | 105.71 | C3oii—H3c6o—C6o | 58.19 |
H1c4g—C4g—C4k | 35.08 | O1a—Mo1a—O6a | 101.5 (3) |
C1k—C4g—C3k | 148 (2) | O1a—Mo1a—O13a | 102.1 (3) |
C1k—C4g—C4k | 140 (5) | O1a—Mo1a—O18a | 144.5 (2) |
C3k—C4g—C4k | 71 (4) | O6a—Mo1a—O13a | 103.5 (3) |
C1g—C5g—C7g | 118.6 (14) | O6a—Mo1a—O18a | 99.3 (3) |
C1g—C5g—H1c5g | 120.72 | O13a—Mo1a—O18a | 100.5 (3) |
C1g—C5g—C5k | 20 (3) | O2a—Mo2a—O3a | 105.8 (3) |
C1g—C5g—C7k | 103.4 (14) | O2a—Mo2a—O12a | 95.2 (3) |
C1g—C5g—H1c5k | 93.36 | O2a—Mo2a—O18a | 99.8 (3) |
C7g—C5g—H1c5g | 120.72 | O3a—Mo2a—O12a | 102.3 (3) |
C7g—C5g—C5k | 100 (3) | O3a—Mo2a—O18a | 97.5 (3) |
C7g—C5g—C7k | 15.2 (7) | O12a—Mo2a—O18a | 150.9 (3) |
C7g—C5g—H1c5k | 146.8 | O10a—Mo3a—O12a | 144.9 (3) |
H1c5g—C5g—C5k | 138.37 | O10a—Mo3a—O16a | 101.6 (3) |
H1c5g—C5g—C7k | 135.84 | O10a—Mo3a—O19a | 99.3 (3) |
H1c5g—C5g—H1c5k | 28.8 | O12a—Mo3a—O16a | 99.9 (3) |
C5k—C5g—C7k | 85 (3) | O12a—Mo3a—O19a | 102.3 (3) |
C5k—C5g—H1c5k | 109.69 | O16a—Mo3a—O19a | 103.5 (3) |
C7k—C5g—H1c5k | 159.84 | O1a—Mo4a—O4a | 103.6 (3) |
O24g—C6g—H1c6g | 109.47 | O1a—Mo4a—O20a | 99.1 (3) |
O24g—C6g—H2c6g | 109.47 | O1a—Mo4a—O21a | 144.2 (2) |
O24g—C6g—H3c6g | 109.47 | O4a—Mo4a—O20a | 101.9 (3) |
O24g—C6g—C6k | 58 (3) | O4a—Mo4a—O21a | 102.9 (3) |
O24g—C6g—H1c6k | 103.03 | O20a—Mo4a—O21a | 98.6 (3) |
O24g—C6g—H3c6k | 95.81 | O7a—Mo5a—O10a | 93.9 (3) |
H1c6g—C6g—H2c6g | 109.47 | O7a—Mo5a—O21a | 100.6 (3) |
H1c6g—C6g—H3c6g | 109.47 | O7a—Mo5a—O23a | 105.4 (3) |
H1c6g—C6g—C6k | 156.68 | O10a—Mo5a—O21a | 153.6 (2) |
H1c6g—C6g—H1c6k | 16.61 | O10a—Mo5a—O23a | 99.6 (3) |
H1c6g—C6g—H3c6k | 134.67 | O21a—Mo5a—O23a | 97.6 (3) |
H2c6g—C6g—H3c6g | 109.47 | O5a—P1a—O11a | 109.2 (3) |
H2c6g—C6g—C6k | 63.49 | O5a—P1a—O14a | 108.5 (3) |
H2c6g—C6g—H1c6k | 98.49 | O5a—P1a—O17a | 106.0 (3) |
H2c6g—C6g—H3c6k | 95.77 | O11a—P1a—O14a | 107.2 (3) |
H3c6g—C6g—C6k | 93.64 | O11a—P1a—O17a | 113.0 (3) |
H3c6g—C6g—H1c6k | 125.81 | O14a—P1a—O17a | 112.8 (3) |
H3c6g—C6g—H3c6k | 25.2 | O8a—P2a—O9a | 107.5 (3) |
C6k—C6g—H1c6k | 140.54 | O8a—P2a—O15a | 111.4 (3) |
C6k—C6g—H3c6k | 68.48 | O8a—P2a—O22a | 108.0 (3) |
H1c6k—C6g—H3c6k | 150.94 | O9a—P2a—O15a | 108.7 (3) |
O24g—C7g—C2g | 114.5 (11) | O9a—P2a—O22a | 110.8 (3) |
O24g—C7g—C5g | 125.5 (12) | O15a—P2a—O22a | 110.4 (3) |
O24g—C7g—O24k | 6.4 (9) | Mo1a—O1a—Mo4a | 149.6 (3) |
O24g—C7g—C5k | 141.4 (12) | Mo3a—O10a—Mo5a | 120.7 (3) |
O24g—C7g—C7k | 156 (3) | Mo2a—O12a—Mo3a | 122.3 (3) |
C2g—C7g—C5g | 120.1 (12) | Mo1a—O18a—Mo2a | 121.3 (2) |
C2g—C7g—O24k | 109.8 (13) | Mo4a—O21a—Mo5a | 122.7 (3) |
C2g—C7g—C5k | 104.1 (11) | Mo1bx—Mo1b—O14bx | 112.6 (5) |
C2g—C7g—C7k | 43 (2) | Mo1bx—Mo1b—O6bx | 76.0 (6) |
C5g—C7g—O24k | 129.8 (14) | Mo1bx—Mo1b—O18bx | 154.3 (6) |
C5g—C7g—C5k | 16.2 (8) | Mo1bx—Mo1b—O13bx | 49.3 (6) |
C5g—C7g—C7k | 78 (3) | Mo1bx—Mo1b—O1b | 40.5 (3) |
O24k—C7g—C5k | 145.3 (14) | Mo1bx—Mo1b—O6b | 84.4 (4) |
O24k—C7g—C7k | 150 (3) | Mo1bx—Mo1b—O13b | 70.8 (4) |
C5k—C7g—C7k | 62 (2) | Mo1bx—Mo1b—O18b | 171.3 (4) |
C1g—H1c1g—C1k | 25.87 | O14bx—Mo1b—O6bx | 89.1 (5) |
C1g—H1c1g—H1c1k | 92.96 | O14bx—Mo1b—O18bx | 92.3 (5) |
C1k—H1c1g—H1c1k | 67.11 | O14bx—Mo1b—O13bx | 161.2 (6) |
C3g—H1c3g—C3k | 14.92 | O14bx—Mo1b—O1b | 79.7 (3) |
C3g—H1c3g—H1c3k | 152.04 | O14bx—Mo1b—O6b | 80.1 (3) |
C3k—H1c3g—H1c3k | 137.93 | O14bx—Mo1b—O13b | 175.4 (4) |
C4g—H1c4g—C4k | 21.47 | O14bx—Mo1b—O18b | 75.9 (4) |
C4g—H1c4g—H1c4k | 139.55 | O6bx—Mo1b—O18bx | 112.1 (7) |
C4k—H1c4g—H1c4k | 118.12 | O6bx—Mo1b—O13bx | 90.6 (6) |
C5g—H1c5g—H1c5k | 46.61 | O6bx—Mo1b—O1b | 98.3 (5) |
C6g—H1c6g—H1c6k | 22.73 | O6bx—Mo1b—O6b | 10.3 (5) |
C6g—H2c6g—C6k | 26.83 | O6bx—Mo1b—O13b | 94.8 (5) |
C6g—H2c6g—H2c6k | 113.12 | O6bx—Mo1b—O18b | 106.7 (5) |
C6k—H2c6g—H2c6k | 86.36 | O18bx—Mo1b—O13bx | 105.2 (7) |
C6g—H3c6g—H3c6k | 86.37 | O18bx—Mo1b—O1b | 148.6 (5) |
N1g—H1n1g—N1k | 18 (2) | O18bx—Mo1b—O6b | 107.0 (5) |
N1g—H1n1g—H1n1k | 106 (17) | O18bx—Mo1b—O13b | 84.0 (5) |
N1k—H1n1g—H1n1k | 89 (16) | O18bx—Mo1b—O18b | 17.0 (5) |
N1g—H2n1g—H2n1k | 27 (16) | O13bx—Mo1b—O1b | 81.8 (5) |
C6h—O24h—C7h | 117.1 (12) | O13bx—Mo1b—O6b | 100.7 (5) |
C6h—O24h—O24l | 56 (3) | O13bx—Mo1b—O13b | 21.6 (5) |
C6h—O24h—C7l | 111.4 (14) | O13bx—Mo1b—O18b | 122.0 (5) |
C7h—O24h—O24l | 152 (4) | O1b—Mo1b—O6b | 101.5 (3) |
C7h—O24h—C7l | 6.7 (9) | O1b—Mo1b—O13b | 102.1 (3) |
O24l—O24h—C7l | 146 (4) | O1b—Mo1b—O18b | 144.5 (3) |
C2h—N1h—H1n1h | 111 (4) | O6b—Mo1b—O13b | 103.5 (3) |
C2h—N1h—H2n1h | 118 (3) | O6b—Mo1b—O18b | 99.3 (3) |
C2h—N1h—N1l | 103 (6) | O13b—Mo1b—O18b | 100.5 (3) |
C2h—N1h—C2l | 11.5 (8) | Mo2bx—Mo2b—O3bx | 90.7 (7) |
C2h—N1h—H1n1l | 117 (5) | Mo2bx—Mo2b—O17bx | 133.0 (6) |
H1n1h—N1h—H2n1h | 120 (5) | Mo2bx—Mo2b—O18bx | 46.1 (6) |
H1n1h—N1h—N1l | 116 (9) | Mo2bx—Mo2b—O12bx | 140.5 (7) |
H1n1h—N1h—C2l | 117 (4) | Mo2bx—Mo2b—O2bx | 45.0 (8) |
H1n1h—N1h—H1n1l | 19 (4) | Mo2bx—Mo2b—O2b | 45.1 (6) |
H2n1h—N1h—N1l | 24 (8) | Mo2bx—Mo2b—O3b | 105.0 (4) |
H2n1h—N1h—C2l | 107 (3) | Mo2bx—Mo2b—O12b | 136.6 (5) |
H2n1h—N1h—H1n1l | 104 (5) | Mo2bx—Mo2b—O18b | 54.9 (5) |
N1l—N1h—C2l | 91 (6) | O3bx—Mo2b—O17bx | 91.5 (6) |
N1l—N1h—H1n1l | 98 (9) | O3bx—Mo2b—O18bx | 91.2 (6) |
C2l—N1h—H1n1l | 119 (5) | O3bx—Mo2b—O12bx | 108.5 (6) |
C4h—C1h—C5h | 120.8 (16) | O3bx—Mo2b—O2bx | 94.6 (7) |
C4h—C1h—H1c1h | 119.6 | O3bx—Mo2b—O2b | 107.6 (6) |
C4h—C1h—C1l | 141 (4) | O3bx—Mo2b—O3b | 22.1 (5) |
C4h—C1h—C4l | 11.4 (11) | O3bx—Mo2b—O12b | 123.2 (5) |
C4h—C1h—H1c1l | 143.74 | O3bx—Mo2b—O18b | 75.5 (5) |
C5h—C1h—H1c1h | 119.6 | O17bx—Mo2b—O18bx | 87.0 (5) |
C5h—C1h—C1l | 21 (4) | O17bx—Mo2b—O12bx | 82.0 (5) |
C5h—C1h—C4l | 110.6 (17) | O17bx—Mo2b—O2bx | 173.6 (5) |
C5h—C1h—H1c1l | 95.42 | O17bx—Mo2b—O2b | 160.5 (3) |
H1c1h—C1h—C1l | 98.9 | O17bx—Mo2b—O3b | 93.5 (4) |
H1c1h—C1h—C4l | 129.53 | O17bx—Mo2b—O12b | 77.3 (4) |
H1c1h—C1h—H1c1l | 24.26 | O17bx—Mo2b—O18b | 80.4 (4) |
C1l—C1h—C4l | 131 (4) | O18bx—Mo2b—O12bx | 157.6 (4) |
C1l—C1h—H1c1l | 74.64 | O18bx—Mo2b—O2bx | 90.9 (6) |
C4l—C1h—H1c1l | 152.95 | O18bx—Mo2b—O2b | 88.3 (4) |
N1h—C2h—C3h | 119.4 (13) | O18bx—Mo2b—O3b | 113.2 (4) |
N1h—C2h—C7h | 119.3 (13) | O18bx—Mo2b—O12b | 141.9 (3) |
N1h—C2h—N1l | 9.0 (9) | O18bx—Mo2b—O18b | 17.2 (4) |
N1h—C2h—C2l | 79 (4) | O12bx—Mo2b—O2bx | 98.0 (7) |
N1h—C2h—C3l | 126.4 (15) | O12bx—Mo2b—O2b | 95.6 (5) |
C3h—C2h—C7h | 121.2 (14) | O12bx—Mo2b—O3b | 87.0 (4) |
C3h—C2h—N1l | 128.4 (13) | O12bx—Mo2b—O12b | 15.8 (4) |
C3h—C2h—C2l | 161 (5) | O12bx—Mo2b—O18b | 162.1 (4) |
C3h—C2h—C3l | 8.6 (14) | O2bx—Mo2b—O2b | 13.2 (4) |
C7h—C2h—N1l | 110.4 (13) | O2bx—Mo2b—O3b | 92.9 (5) |
C7h—C2h—C2l | 40 (4) | O2bx—Mo2b—O12b | 101.0 (5) |
C7h—C2h—C3l | 114.0 (15) | O2bx—Mo2b—O18b | 99.1 (6) |
N1l—C2h—C2l | 70 (4) | O2b—Mo2b—O3b | 105.8 (3) |
N1l—C2h—C3l | 135.3 (14) | O2b—Mo2b—O12b | 95.2 (3) |
C2l—C2h—C3l | 153 (5) | O2b—Mo2b—O18b | 99.8 (3) |
C2h—C3h—C4h | 118.7 (14) | O3b—Mo2b—O12b | 102.3 (3) |
C2h—C3h—H1c3h | 120.64 | O3b—Mo2b—O18b | 97.5 (3) |
C2h—C3h—C3l | 31 (6) | O12b—Mo2b—O18b | 150.9 (3) |
C2h—C3h—C4l | 104.1 (13) | Mo3bx—Mo3b—O15bx | 116.5 (4) |
C2h—C3h—H1c3l | 108.78 | Mo3bx—Mo3b—O10bx | 110.3 (5) |
C4h—C3h—H1c3h | 120.64 | Mo3bx—Mo3b—O19bx | 41.1 (6) |
C4h—C3h—C3l | 92 (5) | Mo3bx—Mo3b—O16bx | 113.1 (7) |
C4h—C3h—C4l | 15.1 (10) | Mo3bx—Mo3b—O10b | 118.2 (4) |
C4h—C3h—H1c3l | 130.98 | Mo3bx—Mo3b—O12b | 60.1 (4) |
H1c3h—C3h—C3l | 143.15 | Mo3bx—Mo3b—O16b | 133.9 (5) |
H1c3h—C3h—C4l | 135.04 | Mo3bx—Mo3b—O19b | 50.7 (4) |
H1c3h—C3h—H1c3l | 16.39 | O15bx—Mo3b—O10bx | 83.2 (4) |
C3l—C3h—C4l | 77 (5) | O15bx—Mo3b—O19bx | 151.1 (5) |
C3l—C3h—H1c3l | 127.3 | O15bx—Mo3b—O16bx | 109.5 (6) |
C4l—C3h—H1c3l | 143.15 | O15bx—Mo3b—O10b | 78.5 (3) |
C1h—C4h—C3h | 120.6 (16) | O15bx—Mo3b—O12b | 73.3 (3) |
C1h—C4h—H1c4h | 119.69 | O15bx—Mo3b—O16b | 92.2 (4) |
C1h—C4h—C3l | 108.0 (14) | O15bx—Mo3b—O19b | 164.3 (4) |
C1h—C4h—C4l | 36 (4) | O10bx—Mo3b—O19bx | 89.4 (6) |
C1h—C4h—H1c4l | 102.43 | O10bx—Mo3b—O16bx | 121.2 (8) |
C3h—C4h—H1c4h | 119.69 | O10bx—Mo3b—O10b | 8.0 (4) |
C3h—C4h—C3l | 13.1 (9) | O10bx—Mo3b—O12b | 143.9 (4) |
C3h—C4h—C4l | 88 (4) | O10bx—Mo3b—O16b | 108.1 (4) |
C3h—C4h—H1c4l | 134.93 | O10bx—Mo3b—O19b | 93.0 (4) |
H1c4h—C4h—C3l | 132.16 | O19bx—Mo3b—O16bx | 98.3 (7) |
H1c4h—C4h—C4l | 148.56 | O19bx—Mo3b—O10b | 96.6 (5) |
H1c4h—C4h—H1c4l | 21.54 | O19bx—Mo3b—O12b | 98.1 (5) |
C3l—C4h—C4l | 75 (4) | O19bx—Mo3b—O16b | 116.7 (4) |
C3l—C4h—H1c4l | 144.84 | O19bx—Mo3b—O19b | 13.3 (4) |
C4l—C4h—H1c4l | 127.14 | O16bx—Mo3b—O10b | 116.4 (7) |
C1h—C5h—C7h | 118.6 (14) | O16bx—Mo3b—O12b | 92.7 (7) |
C1h—C5h—H1c5h | 120.72 | O16bx—Mo3b—O16b | 21.4 (6) |
C1h—C5h—C1l | 7.5 (14) | O16bx—Mo3b—O19b | 85.5 (6) |
C1h—C5h—C5l | 163 (4) | O10b—Mo3b—O12b | 144.9 (3) |
C1h—C5h—C7l | 130.1 (14) | O10b—Mo3b—O16b | 101.6 (3) |
C7h—C5h—H1c5h | 120.72 | O10b—Mo3b—O19b | 99.3 (3) |
C7h—C5h—C1l | 125.9 (18) | O12b—Mo3b—O16b | 99.9 (3) |
C7h—C5h—C5l | 76 (3) | O12b—Mo3b—O19b | 102.3 (3) |
C7h—C5h—C7l | 11.9 (7) | O16b—Mo3b—O19b | 103.5 (3) |
H1c5h—C5h—C1l | 113.34 | Mo4bx—Mo4b—O1bx | 85.5 (9) |
H1c5h—C5h—C5l | 45.84 | Mo4bx—Mo4b—O20bx | 61.3 (10) |
H1c5h—C5h—C7l | 109.11 | Mo4bx—Mo4b—O21bx | 74.0 (9) |
C1l—C5h—C5l | 157 (4) | Mo4bx—Mo4b—O4bx | 165.6 (11) |
C1l—C5h—C7l | 137.5 (18) | Mo4bx—Mo4b—O1b | 89.6 (8) |
C5l—C5h—C7l | 64 (3) | Mo4bx—Mo4b—O4b | 158.9 (10) |
O24h—C6h—H1c6h | 109.47 | Mo4bx—Mo4b—O20b | 59.2 (10) |
O24h—C6h—H2c6h | 109.47 | Mo4bx—Mo4b—O21b | 73.4 (8) |
O24h—C6h—H3c6h | 109.47 | O1bx—Mo4b—O20bx | 98.9 (6) |
O24h—C6h—O24l | 12.6 (10) | O1bx—Mo4b—O21bx | 142.2 (5) |
O24h—C6h—C6l | 117 (4) | O1bx—Mo4b—O4bx | 108.0 (7) |
O24h—C6h—H2c6l | 134.17 | O1bx—Mo4b—O1b | 16.4 (4) |
H1c6h—C6h—H2c6h | 109.47 | O1bx—Mo4b—O4b | 102.4 (4) |
H1c6h—C6h—H3c6h | 109.47 | O1bx—Mo4b—O20b | 83.4 (4) |
H1c6h—C6h—O24l | 98.29 | O1bx—Mo4b—O21b | 153.6 (4) |
H1c6h—C6h—C6l | 33.46 | O20bx—Mo4b—O21bx | 98.6 (6) |
H1c6h—C6h—H2c6l | 84.44 | O20bx—Mo4b—O4bx | 110.3 (8) |
H2c6h—C6h—H3c6h | 109.47 | O20bx—Mo4b—O1b | 114.6 (5) |
H2c6h—C6h—O24l | 119.96 | O20bx—Mo4b—O4b | 98.0 (5) |
H2c6h—C6h—C6l | 127.52 | O20bx—Mo4b—O20b | 15.5 (5) |
H2c6h—C6h—H2c6l | 29.11 | O20bx—Mo4b—O21b | 84.9 (5) |
H3c6h—C6h—O24l | 109.41 | O21bx—Mo4b—O4bx | 96.9 (6) |
H3c6h—C6h—C6l | 76.44 | O21bx—Mo4b—O1b | 129.8 (4) |
H3c6h—C6h—H2c6l | 105.89 | O21bx—Mo4b—O4b | 108.0 (3) |
O24l—C6h—C6l | 105 (4) | O21bx—Mo4b—O20b | 111.0 (4) |
O24l—C6h—H2c6l | 141.22 | O21bx—Mo4b—O21b | 15.5 (5) |
C6l—C6h—H2c6l | 98.41 | O4bx—Mo4b—O1b | 104.8 (7) |
O24h—C7h—C2h | 114.5 (12) | O4bx—Mo4b—O4b | 15.1 (6) |
O24h—C7h—C5h | 125.5 (12) | O4bx—Mo4b—O20b | 116.1 (7) |
O24h—C7h—C2l | 105.2 (13) | O4bx—Mo4b—O21b | 94.9 (6) |
O24h—C7h—C5l | 110.5 (12) | O1b—Mo4b—O4b | 103.6 (3) |
O24h—C7h—C7l | 23 (3) | O1b—Mo4b—O20b | 99.1 (3) |
C2h—C7h—C5h | 120.1 (13) | O1b—Mo4b—O21b | 144.2 (3) |
C2h—C7h—C2l | 9.3 (10) | O4b—Mo4b—O20b | 101.9 (4) |
C2h—C7h—C5l | 135.0 (13) | O4b—Mo4b—O21b | 102.9 (3) |
C2h—C7h—C7l | 132 (3) | O20b—Mo4b—O21b | 98.6 (3) |
C5h—C7h—C2l | 129.4 (14) | Mo5bx—Mo5b—O23bx | 71.5 (7) |
C5h—C7h—C5l | 15.2 (10) | Mo5bx—Mo5b—O7bx | 126.3 (8) |
C5h—C7h—C7l | 106 (3) | Mo5bx—Mo5b—O21bx | 110.1 (7) |
C2l—C7h—C5l | 144.3 (14) | Mo5bx—Mo5b—O7b | 130.2 (5) |
C2l—C7h—C7l | 124 (4) | Mo5bx—Mo5b—O10b | 36.4 (5) |
C5l—C7h—C7l | 91 (3) | Mo5bx—Mo5b—O21b | 126.0 (5) |
C1h—H1c1h—H1c1l | 81.7 | Mo5bx—Mo5b—O23b | 86.4 (6) |
C3h—H1c3h—H1c3l | 37.96 | O23bx—Mo5b—O7bx | 111.3 (9) |
C4h—H1c4h—H1c4l | 38.49 | O23bx—Mo5b—O21bx | 98.3 (6) |
C5h—H1c5h—C5l | 20.46 | O23bx—Mo5b—O7b | 116.9 (6) |
C5h—H1c5h—H1c5l | 129.56 | O23bx—Mo5b—O10b | 88.8 (6) |
C5l—H1c5h—H1c5l | 109.28 | O23bx—Mo5b—O21b | 103.8 (6) |
C6h—H1c6h—C6l | 19.95 | O23bx—Mo5b—O23b | 15.1 (6) |
C6h—H1c6h—H1c6l | 141.93 | O7bx—Mo5b—O21bx | 121.7 (9) |
C6l—H1c6h—H1c6l | 122.23 | O7bx—Mo5b—O7b | 6.6 (8) |
C6h—H2c6h—H2c6l | 57.54 | O7bx—Mo5b—O10b | 90.5 (7) |
C6h—H3c6h—C6l | 24.65 | O7bx—Mo5b—O21b | 105.9 (8) |
C6h—H3c6h—H3c6l | 104.4 | O7bx—Mo5b—O23b | 100.5 (7) |
C6l—H3c6h—H3c6l | 79.78 | O21bx—Mo5b—O7b | 116.2 (5) |
N1h—H1n1h—H1n1l | 67 (15) | O21bx—Mo5b—O10b | 140.7 (5) |
N1h—H2n1h—N1l | 9 (3) | O21bx—Mo5b—O21b | 16.0 (5) |
N1h—H2n1h—H2n1l | 170 (19) | O21bx—Mo5b—O23b | 96.1 (4) |
N1l—H2n1h—H2n1l | 160 (20) | O7b—Mo5b—O10b | 93.9 (3) |
C6i—O24i—C7i | 117.1 (12) | O7b—Mo5b—O21b | 100.6 (3) |
C6i—O24i—O24j | 65 (3) | O7b—Mo5b—O23b | 105.4 (4) |
C6i—O24i—C7j | 113.7 (14) | O10b—Mo5b—O21b | 153.6 (3) |
C7i—O24i—O24j | 132 (4) | O10b—Mo5b—O23b | 99.6 (3) |
C7i—O24i—C7j | 7.7 (8) | O21b—Mo5b—O23b | 97.6 (3) |
O24j—O24i—C7j | 125 (4) | P1bx—P1b—O5bx | 104.8 (18) |
C2i—N1i—H1n1i | 111 (3) | P1bx—P1b—O17bx | 90 (2) |
C2i—N1i—H2n1i | 118 (3) | P1bx—P1b—O11bx | 119.1 (17) |
C2i—N1i—N1j | 108 (5) | P1bx—P1b—O5b | 112.1 (18) |
C2i—N1i—C2j | 11.3 (7) | P1bx—P1b—O11b | 113.5 (16) |
C2i—N1i—H1n1j | 134 (4) | P1bx—P1b—O14b | 10.2 (19) |
H1n1i—N1i—H2n1i | 120 (5) | P1bx—P1b—O17b | 103 (2) |
H1n1i—N1i—N1j | 139 (6) | O5bx—P1b—O17bx | 107.9 (7) |
H1n1i—N1i—C2j | 120 (3) | O5bx—P1b—O11bx | 113.3 (7) |
H1n1i—N1i—H1n1j | 25 (5) | O5bx—P1b—O5b | 12.8 (6) |
H2n1i—N1i—N1j | 23 (6) | O5bx—P1b—O11b | 122.0 (6) |
H2n1i—N1i—C2j | 107 (3) | O5bx—P1b—O14b | 103.2 (6) |
H2n1i—N1i—H1n1j | 96 (5) | O5bx—P1b—O17b | 98.3 (6) |
N1j—N1i—C2j | 97 (5) | O17bx—P1b—O11bx | 119.0 (5) |
N1j—N1i—H1n1j | 114 (7) | O17bx—P1b—O5b | 117.3 (5) |
C2j—N1i—H1n1j | 141 (5) | O17bx—P1b—O11b | 113.9 (4) |
C4i—C1i—C5i | 120.8 (15) | O17bx—P1b—O14b | 99.8 (4) |
C4i—C1i—H1c1i | 119.6 | O17bx—P1b—O17b | 14.3 (4) |
C4i—C1i—C1j | 125 (5) | O11bx—P1b—O5b | 100.6 (4) |
C4i—C1i—C4j | 14.1 (17) | O11bx—P1b—O11b | 8.7 (4) |
C4i—C1i—H1c1j | 137.88 | O11bx—P1b—O14b | 111.8 (4) |
C5i—C1i—H1c1i | 119.6 | O11bx—P1b—O17b | 116.0 (4) |
C5i—C1i—C1j | 25 (4) | O5b—P1b—O11b | 109.2 (3) |
C5i—C1i—C4j | 109.3 (16) | O5b—P1b—O14b | 108.5 (3) |
C5i—C1i—H1c1j | 99.1 | O5b—P1b—O17b | 106.0 (3) |
H1c1i—C1i—C1j | 109.73 | O11b—P1b—O14b | 107.2 (3) |
H1c1i—C1i—C4j | 130.31 | O11b—P1b—O17b | 113.0 (3) |
H1c1i—C1i—H1c1j | 24.37 | O14b—P1b—O17b | 112.8 (3) |
C1j—C1i—C4j | 111 (5) | P2bx—P2b—O15bx | 97 (2) |
C1j—C1i—H1c1j | 85.71 | P2bx—P2b—O22bx | 105 (2) |
C4j—C1i—H1c1j | 143.58 | P2bx—P2b—O9bx | 104 (2) |
N1i—C2i—C3i | 119.4 (14) | P2bx—P2b—O8b | 55 (2) |
N1i—C2i—C7i | 119.3 (13) | P2bx—P2b—O9b | 55 (2) |
N1i—C2i—C2j | 69 (4) | P2bx—P2b—O15b | 111 (2) |
N1i—C2i—C3j | 121.8 (15) | P2bx—P2b—O22b | 139 (2) |
N1i—C2i—C7j | 110.8 (12) | O15bx—P2b—O22bx | 115.1 (6) |
C3i—C2i—C7i | 121.2 (14) | O15bx—P2b—O9bx | 111.6 (7) |
C3i—C2i—C2j | 161 (6) | O15bx—P2b—O8b | 100.7 (4) |
C3i—C2i—C3j | 4.2 (16) | O15bx—P2b—O9b | 104.7 (5) |
C3i—C2i—C7j | 129.6 (13) | O15bx—P2b—O15b | 14.2 (3) |
C7i—C2i—C2j | 54 (4) | O15bx—P2b—O22b | 123.8 (4) |
C7i—C2i—C3j | 118.7 (16) | O22bx—P2b—O9bx | 119.9 (7) |
C7i—C2i—C7j | 9.8 (6) | O22bx—P2b—O8b | 54.2 (4) |
C2j—C2i—C3j | 163 (6) | O22bx—P2b—O9b | 138.2 (5) |
C2j—C2i—C7j | 44 (4) | O22bx—P2b—O15b | 113.0 (4) |
C3j—C2i—C7j | 127.4 (15) | O22bx—P2b—O22b | 56.5 (4) |
C2i—C3i—C4i | 118.7 (16) | O9bx—P2b—O8b | 144.0 (7) |
C2i—C3i—H1c3i | 120.64 | O9bx—P2b—O9b | 50.0 (7) |
C2i—C3i—C3j | 16 (5) | O9bx—P2b—O15b | 103.2 (6) |
C2i—C3i—C4j | 105.8 (16) | O9bx—P2b—O22b | 66.8 (6) |
C2i—C3i—H1c3j | 105.23 | O8b—P2b—O9b | 107.5 (4) |
C4i—C3i—H1c3i | 120.64 | O8b—P2b—O15b | 111.4 (3) |
C4i—C3i—C3j | 109 (5) | O8b—P2b—O22b | 108.0 (3) |
C4i—C3i—C4j | 15.0 (17) | O9b—P2b—O15b | 108.7 (4) |
C4i—C3i—H1c3j | 135.54 | O9b—P2b—O22b | 110.8 (4) |
H1c3i—C3i—C3j | 128.7 | O15b—P2b—O22b | 110.4 (4) |
H1c3i—C3i—C4j | 132.91 | Mo1bx—O1b—Mo4bx | 155.0 (4) |
H1c3i—C3i—H1c3j | 16.69 | Mo1bx—O1b—O1bx | 115.3 (10) |
C3j—C3i—C4j | 95 (5) | Mo1bx—O1b—Mo1b | 10.00 (10) |
C3j—C3i—H1c3j | 112.12 | Mo1bx—O1b—Mo4b | 157.9 (4) |
C4j—C3i—H1c3j | 145.56 | Mo4bx—O1b—O1bx | 80.8 (10) |
C1i—C4i—C3i | 120.6 (18) | Mo4bx—O1b—Mo1b | 145.8 (3) |
C1i—C4i—H1c4i | 119.69 | Mo4bx—O1b—Mo4b | 6.29 (8) |
C1i—C4i—C3j | 110.2 (17) | O1bx—O1b—Mo1b | 116.6 (10) |
C1i—C4i—C4j | 56 (4) | O1bx—O1b—Mo4b | 82.4 (9) |
C1i—C4i—H1c4j | 111.77 | Mo1b—O1b—Mo4b | 149.6 (4) |
C3i—C4i—H1c4i | 119.69 | Mo2bx—O2b—O2bx | 110 (2) |
C3i—C4i—C3j | 10.7 (11) | Mo2bx—O2b—Mo2b | 9.43 (12) |
C3i—C4i—C4j | 74 (4) | O2bx—O2b—Mo2b | 112 (2) |
C3i—C4i—H1c4j | 122.03 | Mo2bx—O3b—O3bx | 69.1 (10) |
H1c4i—C4i—C3j | 130.06 | Mo2bx—O3b—Mo2b | 10.56 (9) |
H1c4i—C4i—C4j | 148.02 | O3bx—O3b—Mo2b | 75.5 (10) |
H1c4i—C4i—H1c4j | 24.52 | Mo4bx—O4b—O4bx | 58.3 (16) |
C3j—C4i—C4j | 64 (4) | Mo4bx—O4b—Mo4b | 2.30 (12) |
C3j—C4i—H1c4j | 129.65 | O4bx—O4b—Mo4b | 56.6 (16) |
C4j—C4i—H1c4j | 123.56 | O5bx—O5b—P1b | 75 (2) |
C1i—C5i—C7i | 118.6 (14) | Mo1bx—O6b—O6bx | 83 (2) |
C1i—C5i—H1c5i | 120.72 | Mo1bx—O6b—Mo1b | 14.27 (10) |
C1i—C5i—C1j | 7.8 (18) | O6bx—O6b—Mo1b | 94 (3) |
C1i—C5i—C5j | 173 (5) | Mo5bx—O7b—O7bx | 32 (3) |
C1i—C5i—C7j | 128.3 (15) | Mo5bx—O7b—Mo5b | 7.70 (9) |
C7i—C5i—H1c5i | 120.72 | O7bx—O7b—Mo5b | 36 (3) |
C7i—C5i—C1j | 120.6 (16) | P2bx—O8b—O22bx | 65.9 (5) |
C7i—C5i—C5j | 67 (4) | P2bx—O8b—O8bx | 64.0 (5) |
C7i—C5i—C7j | 11.0 (6) | P2bx—O8b—P2b | 5.0 (3) |
H1c5i—C5i—C1j | 118.12 | O22bx—O8b—O8bx | 124.6 (7) |
H1c5i—C5i—C5j | 53.46 | O22bx—O8b—P2b | 61.3 (5) |
H1c5i—C5i—C7j | 110.77 | O8bx—O8b—P2b | 69.0 (4) |
C1j—C5i—C5j | 171 (5) | P2bx—O9b—O9bx | 68.1 (6) |
C1j—C5i—C7j | 131.0 (17) | P2bx—O9b—P2b | 5.1 (2) |
C5j—C5i—C7j | 57 (4) | O9bx—O9b—P2b | 63.2 (5) |
O24i—C6i—H1c6i | 109.47 | Mo5bx—O10b—O10bx | 139.2 (18) |
O24i—C6i—H2c6i | 109.47 | Mo5bx—O10b—Mo3b | 114.0 (3) |
O24i—C6i—H3c6i | 109.47 | Mo5bx—O10b—Mo5b | 6.86 (11) |
O24i—C6i—O24j | 16.0 (8) | O10bx—O10b—Mo3b | 47 (2) |
O24i—C6i—C6j | 112 (4) | O10bx—O10b—Mo5b | 142.1 (18) |
O24i—C6i—H2c6j | 136.01 | Mo3b—O10b—Mo5b | 120.7 (3) |
H1c6i—C6i—H2c6i | 109.47 | O11bx—O11b—P1b | 63 (2) |
H1c6i—C6i—H3c6i | 109.47 | Mo3bx—O12b—O12bx | 100.1 (13) |
H1c6i—C6i—O24j | 98.69 | Mo3bx—O12b—Mo2b | 113.4 (3) |
H1c6i—C6i—C6j | 48.81 | Mo3bx—O12b—Mo3b | 13.29 (9) |
H1c6i—C6i—H2c6j | 84.16 | O12bx—O12b—Mo2b | 53.2 (14) |
H2c6i—C6i—H3c6i | 109.47 | O12bx—O12b—Mo3b | 113.2 (13) |
H2c6i—C6i—O24j | 125.15 | Mo2b—O12b—Mo3b | 122.3 (3) |
H2c6i—C6i—C6j | 137.85 | Mo1bx—O13b—O13bx | 84.2 (14) |
H2c6i—C6i—H2c6j | 30.33 | Mo1bx—O13b—Mo1b | 14.54 (11) |
H3c6i—C6i—O24j | 103.56 | O13bx—O13b—Mo1b | 98.7 (14) |
H3c6i—C6i—C6j | 62.76 | P1bx—O14b—O14bx | 140 (2) |
H3c6i—C6i—H2c6j | 104.21 | P1bx—O14b—P1b | 1.3 (2) |
O24j—C6i—C6j | 96 (4) | O14bx—O14b—P1b | 140 (2) |
O24j—C6i—H2c6j | 149.3 | Mo5bx—O15b—O15bx | 128.8 (17) |
C6j—C6i—H2c6j | 108.16 | Mo5bx—O15b—P2b | 134.0 (4) |
O24i—C7i—C2i | 114.5 (12) | O15bx—O15b—P2b | 78.8 (13) |
O24i—C7i—C5i | 125.5 (12) | Mo3bx—O16b—O16bx | 48.9 (16) |
O24i—C7i—C2j | 104.2 (12) | Mo3bx—O16b—Mo3b | 9.35 (10) |
O24i—C7i—C5j | 113.0 (12) | O16bx—O16b—Mo3b | 57.9 (17) |
O24i—C7i—C7j | 28 (3) | Mo3bx—O17b—P1bx | 141.0 (3) |
C2i—C7i—C5i | 120.1 (13) | Mo3bx—O17b—O17bx | 127 (2) |
C2i—C7i—C2j | 11.1 (8) | Mo3bx—O17b—P1b | 135.2 (3) |
C2i—C7i—C5j | 132.6 (13) | P1bx—O17b—O17bx | 76 (2) |
C2i—C7i—C7j | 123 (3) | P1bx—O17b—P1b | 6.22 (19) |
C5i—C7i—C2j | 130.2 (14) | O17bx—O17b—P1b | 81 (2) |
C5i—C7i—C5j | 12.5 (9) | Mo2bx—O18b—O18bx | 95.2 (14) |
C5i—C7i—C7j | 111 (3) | Mo2bx—O18b—Mo1b | 121.8 (3) |
C2j—C7i—C5j | 142.5 (15) | Mo2bx—O18b—Mo2b | 9.28 (9) |
C2j—C7i—C7j | 112 (3) | O18bx—O18b—Mo1b | 44.1 (12) |
C5j—C7i—C7j | 100 (3) | O18bx—O18b—Mo2b | 100.8 (14) |
C1i—H1c1i—H1c1j | 72.38 | Mo1b—O18b—Mo2b | 121.3 (3) |
C3i—H1c3i—H1c3j | 51.46 | Mo3bx—O19b—O19bx | 108.5 (14) |
C4i—H1c4i—H1c4j | 43.82 | Mo3bx—O19b—Mo3b | 13.94 (12) |
C5i—H1c5i—C5j | 17.66 | O19bx—O19b—Mo3b | 119.5 (14) |
C5i—H1c5i—H1c5j | 125.17 | Mo4bx—O20b—O20bx | 93 (2) |
C5j—H1c5i—H1c5j | 107.59 | Mo4bx—O20b—Mo4b | 6.41 (9) |
C6i—H1c6i—C6j | 26.74 | O20bx—O20b—Mo4b | 93 (2) |
C6i—H1c6i—H1c6j | 122.84 | Mo4bx—O21b—Mo5bx | 114.4 (3) |
C6j—H1c6i—H1c6j | 96.17 | Mo4bx—O21b—O21bx | 87.5 (13) |
C6i—H2c6i—H2c6j | 47.31 | Mo4bx—O21b—Mo4b | 6.14 (9) |
C6i—H3c6i—C6j | 27.68 | Mo4bx—O21b—Mo5b | 117.3 (3) |
C6i—H3c6i—H3c6j | 123.52 | Mo5bx—O21b—O21bx | 59.0 (11) |
C6j—H3c6i—H3c6j | 95.84 | Mo5bx—O21b—Mo4b | 119.2 (3) |
N1i—H1n1i—H1n1j | 48 (9) | Mo5bx—O21b—Mo5b | 7.45 (9) |
N1i—H2n1i—N1j | 13 (3) | O21bx—O21b—Mo4b | 87.5 (13) |
N1i—H2n1i—H2n1j | 143 (14) | O21bx—O21b—Mo5b | 66.4 (11) |
N1j—H2n1i—H2n1j | 129 (15) | Mo4b—O21b—Mo5b | 122.7 (3) |
O24i—O24j—C6i | 99 (3) | O22bx—O22b—P2b | 61.6 (6) |
O24i—O24j—C6j | 117 (3) | Mo5bx—O23b—O23bx | 80.8 (18) |
O24i—O24j—C7j | 41 (3) | Mo5bx—O23b—Mo5b | 11.39 (11) |
C6i—O24j—C6j | 17.9 (11) | O23bx—O23b—Mo5b | 92.0 (18) |
C6i—O24j—C7j | 104.8 (12) | | |
Symmetry codes: (i) −x+2, −y, −z+1; (ii) −x+2, −y+1, −z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C1a—H1c1a···O7b | 0.96 | 2.43 | 3.218 (11) | 139.34 |
C5a—H1c5a···O21b | 0.96 | 2.44 | 3.342 (11) | 156.29 |
N1a—H1n1a···O20aiii | 0.87 (5) | 2.10 (4) | 2.819 (11) | 140 (4) |
N1a—H2n1a···O24a | 0.87 (4) | 2.36 (4) | 2.658 (9) | 100 (2) |
N1a—H2n1a···O6aiv | 0.87 (4) | 2.34 (3) | 3.187 (10) | 163 (4) |
N1a—H2n1a···O18aiv | 0.87 (4) | 2.45 (5) | 2.858 (12) | 109 (3) |
O3w—H1c1b···N1bi | 1.17 | 2.16 | 2.88 (5) | 116.74 |
O3w—H1c1b···C1b | 1.17 | 0.96 | 1.92 (5) | 129.17 |
O3w—H1c1b···C4b | 1.17 | 2.03 | 2.80 (5) | 119.87 |
O3w—H1c1b···C5b | 1.17 | 2.04 | 2.83 (4) | 121.42 |
C1b—H1c1b···O3w | 0.96 | 1.17 | 1.92 (5) | 129.17 |
N1bi—H1c5b···C3bi | 0.35 | 2.39 | 2.46 (8) | 97.79 |
N1bi—H1c5b···O19ai | 0.35 | 2.44 | 2.74 (4) | 146.30 |
C5b—H1c5b···O19ai | 0.96 | 2.44 | 3.33 (3) | 154.60 |
C6b—H2c6b···N1bi | 0.96 | 2.50 | 2.71 (8) | 92.09 |
N1b—H1n1b···O19a | 0.87 (6) | 1.98 (6) | 2.74 (4) | 145 (7) |
C5bi—H1n1b···O19a | 1.36 (6) | 1.98 (6) | 3.33 (3) | 175 (6) |
N1b—H2n1b···O3wi | 0.87 (10) | 2.33 (7) | 2.88 (5) | 121 (4) |
N1b—H2n1b···O24b | 0.87 (10) | 2.36 (7) | 2.66 (5) | 100 (6) |
N1b—H2n1b···C1bi | 0.87 (10) | 1.18 (9) | 1.81 (8) | 124 (8) |
N1b—H2n1b···C4bi | 0.87 (10) | 2.46 (9) | 3.02 (8) | 123 (6) |
C1bi—H2n1b···N1b | 1.18 (9) | 0.87 (10) | 1.81 (8) | 124 (8) |
C1bi—H2n1b···C2b | 1.18 (9) | 2.02 (9) | 2.47 (7) | 98 (5) |
C5bi—H2n1b···O3wi | 0.99 (8) | 2.33 (7) | 2.83 (4) | 110 (4) |
C6c—H2c6c···O7aiii | 0.96 | 2.41 | 3.172 (11) | 136.20 |
N1c—H1n1c···O7bx | 0.87 (6) | 2.22 (6) | 3.07 (3) | 166 (3) |
N1c—H1n1c···O7b | 0.87 (6) | 1.95 (5) | 2.799 (17) | 164 (3) |
N1c—H2n1c···O20bx | 0.87 (4) | 2.24 (5) | 2.779 (19) | 120 (4) |
N1c—H2n1c···O24c | 0.87 (4) | 2.36 (4) | 2.658 (12) | 100 (2) |
N1c—H2n1c···O20b | 0.87 (4) | 2.34 (4) | 2.961 (13) | 128 (5) |
N1d—H1n1d···O21bxv | 0.87 (5) | 2.16 (5) | 2.811 (17) | 131 (4) |
N1d—H1n1d···O9bxv | 0.87 (5) | 2.10 (5) | 2.695 (17) | 125 (5) |
N1d—H1n1d···O21bv | 0.87 (5) | 2.43 (6) | 2.996 (17) | 123 (4) |
N1d—H1n1d···O22bv | 0.87 (5) | 2.15 (4) | 2.998 (13) | 166 (5) |
N1d—H2n1d···O24d | 0.87 (4) | 2.36 (5) | 2.658 (11) | 100 (3) |
C5e—H1c5e···C6f | 0.96 | 2.12 | 2.419 (19) | 96.08 |
C5f—H1c5e···C6f | 1.23 | 2.12 | 2.84 (2) | 113.47 |
N1e—H1n1e···O23bxvi | 0.87 (7) | 1.70 (6) | 2.55 (3) | 162 (5) |
N1e—H1n1e···O23bvi | 0.87 (7) | 1.97 (6) | 2.82 (3) | 164 (4) |
N1f—H1n1e···O23bxvi | 1.38 (6) | 1.70 (6) | 2.94 (3) | 145 (3) |
N1f—H1n1e···O23bvi | 1.38 (6) | 1.97 (6) | 3.17 (2) | 142 (3) |
N1e—H2n1e···O4w | 0.87 (5) | 1.73 (5) | 2.60 (3) | 175 (4) |
N1e—H2n1e···O24e | 0.87 (5) | 2.36 (5) | 2.66 (2) | 100 (3) |
N1e—H2n1e···O24f | 0.87 (5) | 2.45 (4) | 2.62 (2) | 91 (3) |
N1f—H2n1e···O4w | 1.26 (4) | 1.73 (5) | 2.86 (3) | 146 (4) |
N1f—H2n1e···O24e | 1.26 (4) | 2.36 (5) | 2.78 (2) | 96 (2) |
C3e—H1c3f···O2bxvii | 1.16 | 2.44 | 3.23 (2) | 123.90 |
C3f—H1c3f···O2bxvii | 0.96 | 2.44 | 3.09 (2) | 125.19 |
C6e—H3c6f···C5e | 1.19 | 2.27 | 2.84 (2) | 106.76 |
N1e—H1n1f···O23bxvi | 0.75 (5) | 2.08 (6) | 2.55 (3) | 120 (5) |
N1e—H1n1f···C3e | 0.75 (5) | 2.31 (4) | 2.46 (2) | 93 (4) |
N1e—H1n1f···O23bvi | 0.75 (5) | 2.31 (6) | 2.82 (3) | 126 (5) |
N1f—H1n1f···O23bxvi | 0.87 (6) | 2.08 (6) | 2.94 (3) | 168 (4) |
N1f—H1n1f···O23bvi | 0.87 (6) | 2.31 (6) | 3.17 (2) | 168 (4) |
N1e—H2n1f···O4w | 0.96 (6) | 2.04 (4) | 2.60 (3) | 115 (3) |
N1e—H2n1f···O24e | 0.96 (6) | 2.38 (4) | 2.66 (2) | 96 (3) |
N1e—H2n1f···O24f | 0.96 (6) | 2.36 (4) | 2.62 (2) | 94 (3) |
N1f—H2n1f···O4w | 0.87 (5) | 2.04 (4) | 2.86 (3) | 157 (5) |
N1f—H2n1f···O24e | 0.87 (5) | 2.38 (4) | 2.78 (2) | 109 (3) |
N1f—H2n1f···O24f | 0.87 (5) | 2.36 (4) | 2.66 (2) | 100 (3) |
C5g—H1c5g···C6k | 0.96 | 2.21 | 2.45 (3) | 92.76 |
C5k—H1c5g···C6k | 1.32 | 2.21 | 2.84 (2) | 104.84 |
C6g—H1c6g···O3bxviii | 0.96 | 2.46 | 3.39 (2) | 163.83 |
C6g—H1c6g···O3bviii | 0.96 | 1.85 | 2.78 (2) | 163.77 |
C6k—H1c6g···O3bxviii | 1.37 | 2.46 | 3.76 (2) | 158.65 |
C6k—H1c6g···O3bviii | 1.37 | 1.85 | 3.17 (2) | 160.45 |
N1g—H1n1g···O16aiii | 0.87 (5) | 2.47 (4) | 3.219 (19) | 145 (5) |
N1g—H1n1g···O23aiii | 0.87 (5) | 2.34 (6) | 2.75 (3) | 109 (4) |
N1k—H1n1g···O16aiii | 0.83 (6) | 2.47 (4) | 3.074 (19) | 131 (5) |
N1k—H1n1g···O23aiii | 0.83 (6) | 2.34 (6) | 2.91 (3) | 127 (4) |
N1g—H2n1g···O24g | 0.87 (4) | 2.36 (5) | 2.66 (2) | 100 (3) |
N1g—H2n1g···O24k | 0.87 (4) | 2.28 (5) | 2.46 (2) | 92 (3) |
N1g—H2n1g···O2a | 0.87 (4) | 2.42 (5) | 2.95 (2) | 120 (5) |
N1k—H2n1g···O24g | 1.09 (4) | 2.36 (5) | 2.87 (2) | 107 (3) |
N1k—H2n1g···O24k | 1.09 (4) | 2.28 (5) | 2.66 (2) | 98 (3) |
N1k—H2n1g···O2a | 1.09 (4) | 2.42 (5) | 3.00 (2) | 112 (4) |
C4h—H1c4h···O2w′ | 0.96 | 2.44 | 3.38 (3) | 167.92 |
C4l—H1c4h···O2w′ | 1.29 | 2.44 | 3.71 (3) | 167.42 |
C6h—H2c6h···O24i | 0.96 | 2.46 | 3.34 (3) | 153.24 |
C6l—H2c6h···O24i | 1.25 | 2.46 | 3.65 (3) | 157.76 |
C6l—H2c6h···C5l | 1.25 | 2.50 | 2.84 (2) | 92.69 |
C6l—H3c6h···C5l | 0.95 | 2.37 | 2.84 (2) | 110.43 |
N1h—H1n1h···O10bxix | 0.87 (6) | 2.04 (5) | 2.77 (3) | 141 (4) |
N1h—H1n1h···O10bix | 0.87 (6) | 2.16 (5) | 2.82 (3) | 133 (4) |
N1l—H1n1h···O10bxix | 1.00 (6) | 2.04 (5) | 2.78 (3) | 129 (3) |
N1l—H1n1h···O10bix | 1.00 (6) | 2.16 (5) | 2.81 (3) | 121 (3) |
N1h—H2n1h···O6bxvii | 0.87 (5) | 2.22 (6) | 2.90 (3) | 135 (4) |
N1h—H2n1h···O24h | 0.87 (5) | 2.36 (5) | 2.66 (2) | 100 (4) |
N1h—H2n1h···O24l | 0.87 (5) | 2.46 (5) | 2.85 (2) | 108 (4) |
N1h—H2n1h···O6bvii | 0.87 (5) | 2.23 (6) | 2.95 (3) | 140 (4) |
N1l—H2n1h···O6bxvii | 0.65 (5) | 2.22 (6) | 2.76 (3) | 142 (5) |
N1l—H2n1h···O24h | 0.65 (5) | 2.36 (5) | 2.48 (2) | 93 (4) |
N1l—H2n1h···O24l | 0.65 (5) | 2.46 (5) | 2.66 (2) | 101 (5) |
N1l—H2n1h···O6bvii | 0.65 (5) | 2.23 (6) | 2.80 (3) | 148 (5) |
C6i—H3c6i···O23bix | 0.96 | 2.38 | 3.132 (19) | 134.79 |
C6j—H3c6i···C5j | 0.85 | 2.43 | 2.84 (2) | 110.47 |
C6j—H3c6i···O23bix | 0.85 | 2.38 | 3.097 (19) | 141.76 |
N1i—H1n1i···O7aiii | 0.87 (5) | 2.28 (4) | 3.084 (17) | 154 (5) |
N1i—H1n1i···O10aiii | 0.87 (5) | 2.04 (6) | 2.68 (3) | 129 (5) |
N1j—H1n1i···O7aiii | 1.14 (5) | 2.28 (4) | 3.372 (17) | 160 (5) |
N1j—H1n1i···O10aiii | 1.14 (5) | 2.04 (6) | 2.82 (3) | 122 (4) |
N1i—H2n1i···O3wx | 0.87 (4) | 2.37 (4) | 3.20 (2) | 159 (6) |
N1i—H2n1i···O24i | 0.87 (4) | 2.36 (5) | 2.66 (2) | 100 (3) |
N1i—H2n1i···O24j | 0.87 (4) | 2.44 (5) | 2.83 (2) | 108 (3) |
N1j—H2n1i···O3wx | 0.58 (5) | 2.37 (4) | 2.88 (2) | 147 (7) |
N1j—H2n1i···O24i | 0.58 (5) | 2.36 (5) | 2.52 (2) | 100 (4) |
N1j—H2n1i···O24j | 0.58 (5) | 2.44 (5) | 2.66 (2) | 106 (4) |
C5i—H1c5j···O23bxix | 1.17 | 2.46 | 3.51 (2) | 148.52 |
C5i—H1c5j···C6i | 1.17 | 2.29 | 2.84 (2) | 105.93 |
C5j—H1c5j···O23bxix | 0.96 | 2.46 | 3.33 (2) | 152.17 |
C5j—H1c5j···C6i | 0.96 | 2.29 | 2.54 (2) | 93.87 |
C6i—H3c6j···O23bix | 1.20 | 2.37 | 3.132 (19) | 119.15 |
C6j—H3c6j···O23bix | 0.96 | 2.37 | 3.097 (19) | 132.21 |
N1i—H1n1j···O5aiii | 0.68 (5) | 2.46 (4) | 2.795 (19) | 113 (5) |
N1i—H1n1j···O10aiii | 0.68 (5) | 2.09 (6) | 2.68 (3) | 146 (6) |
N1j—H1n1j···O5aiii | 0.87 (5) | 2.46 (4) | 2.694 (19) | 96 (3) |
N1j—H1n1j···O10aiii | 0.87 (5) | 2.09 (6) | 2.82 (3) | 141 (5) |
N1i—H2n1j···O3wx | 1.19 (4) | 2.02 (4) | 3.20 (2) | 169 (4) |
N1i—H2n1j···O24i | 1.19 (4) | 2.35 (5) | 2.66 (2) | 91 (2) |
N1i—H2n1j···O24j | 1.19 (4) | 2.36 (5) | 2.83 (2) | 101 (2) |
N1j—H2n1j···O3wx | 0.87 (4) | 2.02 (4) | 2.88 (2) | 167 (5) |
N1j—H2n1j···O24i | 0.87 (4) | 2.35 (5) | 2.52 (2) | 91 (3) |
N1j—H2n1j···O24j | 0.87 (4) | 2.36 (5) | 2.66 (2) | 100 (3) |
C1g—H1c1k···O6bxvii | 1.10 | 2.46 | 3.39 (2) | 141.18 |
C1g—H1c1k···O13bxvii | 1.10 | 2.38 | 3.39 (3) | 151.16 |
C1k—H1c1k···O6bxvii | 0.96 | 2.46 | 3.23 (2) | 136.73 |
C1k—H1c1k···O13bxvii | 0.96 | 2.38 | 3.25 (3) | 150.31 |
C6g—H1c6k···O3bviii | 0.59 | 2.22 | 2.78 (2) | 162.75 |
C6k—H1c6k···O3bviii | 0.96 | 2.22 | 3.17 (2) | 171.45 |
C6g—H2c6k···C5g | 1.24 | 2.45 | 2.84 (2) | 95.46 |
C6g—H2c6k···C4h | 1.24 | 2.46 | 3.61 (3) | 153.63 |
C6k—H2c6k···C4h | 0.96 | 2.46 | 3.35 (3) | 153.78 |
C6g—H3c6k···C5g | 1.03 | 2.30 | 2.84 (2) | 111.51 |
N1g—H1n1k···O9a | 0.99 (5) | 2.29 (5) | 2.873 (18) | 117 (4) |
N1g—H1n1k···O16aiii | 0.99 (5) | 2.32 (4) | 3.219 (19) | 151 (4) |
N1k—H1n1k···O9a | 0.87 (5) | 2.29 (5) | 2.690 (18) | 108 (5) |
N1k—H1n1k···O16aiii | 0.87 (5) | 2.32 (4) | 3.074 (19) | 146 (4) |
N1g—H2n1k···O24g | 0.67 (4) | 2.47 (5) | 2.66 (2) | 99 (5) |
N1g—H2n1k···O24k | 0.67 (4) | 2.36 (5) | 2.46 (2) | 91 (4) |
N1g—H2n1k···O2a | 0.67 (4) | 2.44 (5) | 2.95 (2) | 135 (6) |
N1k—H2n1k···O24g | 0.87 (4) | 2.47 (5) | 2.87 (2) | 108 (4) |
N1k—H2n1k···O24k | 0.87 (4) | 2.36 (5) | 2.66 (2) | 100 (3) |
N1k—H2n1k···O2a | 0.87 (4) | 2.44 (5) | 3.00 (2) | 122 (5) |
C5h—H1c5l···C6h | 1.25 | 2.26 | 2.84 (2) | 104.54 |
C5l—H1c5l···C6h | 0.96 | 2.26 | 2.50 (2) | 93.22 |
N1h—H1n1l···O10bxix | 0.80 (6) | 1.98 (5) | 2.77 (3) | 166 (4) |
N1h—H1n1l···O10bix | 0.80 (6) | 2.07 (5) | 2.82 (3) | 157 (4) |
N1l—H1n1l···O10bxix | 0.87 (6) | 1.98 (5) | 2.78 (3) | 151 (4) |
N1l—H1n1l···O10bix | 0.87 (6) | 2.07 (5) | 2.81 (3) | 142 (4) |
N1h—H2n1l···O6bxvii | 1.09 (5) | 2.09 (6) | 2.90 (3) | 129 (4) |
N1h—H2n1l···O24h | 1.09 (5) | 2.29 (5) | 2.66 (2) | 97 (3) |
N1h—H2n1l···O24l | 1.09 (5) | 2.36 (5) | 2.85 (2) | 105 (3) |
N1h—H2n1l···O6bvii | 1.09 (5) | 2.08 (6) | 2.95 (3) | 134 (4) |
N1l—H2n1l···O6bxvii | 0.87 (5) | 2.09 (6) | 2.76 (3) | 134 (4) |
N1l—H2n1l···O24h | 0.87 (5) | 2.29 (5) | 2.48 (2) | 92 (3) |
N1l—H2n1l···O24l | 0.87 (5) | 2.36 (5) | 2.66 (2) | 100 (4) |
N1l—H2n1l···O6bvii | 0.87 (5) | 2.08 (6) | 2.80 (3) | 140 (4) |
C1m—H1c1m···O4axi | 0.96 | 2.43 | 3.367 (17) | 164.69 |
C1n—H1c1m···O4axi | 1.12 | 2.43 | 3.494 (17) | 158.50 |
C6m—H2c6m···O2bxviii | 0.96 | 2.28 | 2.81 (2) | 114.26 |
C6n—H2c6m···O2bxviii | 1.38 | 2.28 | 3.00 (2) | 107.84 |
C6n—H2c6m···C5n | 1.38 | 2.38 | 2.84 (2) | 94.48 |
C6n—H3c6m···C5n | 1.39 | 2.31 | 2.84 (2) | 97.53 |
N1m—H1n1m···O12a | 0.87 (6) | 1.98 (6) | 2.76 (3) | 149 (4) |
N1n—H1n1m···O12a | 0.84 (6) | 1.98 (6) | 2.76 (3) | 154 (4) |
N1m—H2n1m···O24m | 0.87 (5) | 2.36 (4) | 2.658 (19) | 100 (3) |
N1m—H2n1m···O24n | 0.87 (5) | 2.11 (4) | 2.506 (19) | 107 (3) |
N1n—H2n1m···O24m | 1.04 (5) | 2.36 (4) | 2.796 (19) | 104 (2) |
N1n—H2n1m···O24n | 1.04 (5) | 2.11 (4) | 2.658 (19) | 110 (3) |
C5m—H1c5n···C6m | 1.31 | 2.00 | 2.84 (2) | 117.25 |
C5n—H1c5n···C6m | 0.96 | 2.00 | 2.39 (2) | 102.34 |
C6m—H2c6n···O2bxviii | 0.85 | 2.33 | 2.81 (2) | 116.61 |
C6n—H2c6n···O2bxviii | 0.96 | 2.33 | 3.00 (2) | 127.12 |
N1m—H1n1n···O12a | 0.95 (6) | 2.01 (6) | 2.76 (3) | 134 (4) |
N1n—H1n1n···O12a | 0.87 (6) | 2.01 (6) | 2.76 (3) | 144 (4) |
N1m—H2n1n···O24n | 0.73 (5) | 2.36 (4) | 2.506 (19) | 93 (3) |
N1n—H2n1n···O24n | 0.87 (5) | 2.36 (4) | 2.658 (19) | 100 (3) |
C1o—H1c1o···O16bxviii | 0.96 | 2.33 | 3.23 (5) | 155.69 |
C1o—H1c1o···O4wii | 0.96 | 2.46 | 3.04 (4) | 118.70 |
C3o—H1c3o···O1wvii | 0.96 | 2.41 | 3.21 (4) | 140.93 |
N1oii—H1c5o···O24oii | 1.11 | 1.77 | 2.66 (4) | 133.58 |
N1oii—H1c5o···C1o | 1.11 | 2.05 | 2.72 (5) | 115.75 |
N1oii—H1c5o···C2oii | 1.11 | 0.77 | 1.46 (5) | 100.28 |
N1oii—H1c5o···C3oii | 1.11 | 2.15 | 2.46 (6) | 92.47 |
N1oii—H1c5o···C5o | 1.11 | 0.96 | 2.01 (4) | 151.27 |
N1oii—H1c5o···C7o | 1.11 | 2.06 | 3.17 (4) | 172.90 |
N1oii—H1c5o···C7oii | 1.11 | 1.34 | 2.45 (4) | 175.85 |
C2oii—H1c5o···O4wii | 0.77 | 2.35 | 2.90 (3) | 129.12 |
C2oii—H1c5o···O24oii | 0.77 | 1.77 | 2.31 (3) | 126.07 |
C2oii—H1c5o···N1oii | 0.77 | 1.11 | 1.46 (5) | 100.28 |
C2oii—H1c5o···C1o | 0.77 | 2.05 | 2.71 (5) | 143.91 |
C2oii—H1c5o···C5o | 0.77 | 0.96 | 1.41 (3) | 108.39 |
C5o—H1c5o···O4wii | 0.96 | 2.35 | 2.98 (3) | 122.49 |
C5o—H1c5o···N1oii | 0.96 | 1.11 | 2.01 (4) | 151.27 |
C5o—H1c5o···C2oii | 0.96 | 0.77 | 1.41 (3) | 108.39 |
C5o—H1c5o···C3oii | 0.96 | 2.15 | 2.71 (4) | 116.23 |
C7oii—H1c5o···O4wii | 1.34 | 2.35 | 3.61 (2) | 154.93 |
C7oii—H1c5o···N1oii | 1.34 | 1.11 | 2.45 (4) | 175.85 |
C3oii—H2c6o···C1oii | 0.87 | 2.19 | 2.40 (6) | 93.30 |
C4oii—H2c6o···C2oii | 1.31 | 1.68 | 2.38 (6) | 105.01 |
C3oii—H3c6o···C1oii | 0.84 | 2.22 | 2.40 (6) | 91.80 |
C4oii—H3c6o···C2oii | 1.37 | 1.60 | 2.38 (6) | 106.40 |
C4oii—H3c6o···C7oii | 1.37 | 2.37 | 2.76 (5) | 91.22 |
N1o—H1n1o···O13bxvii | 0.87 (5) | 2.25 (5) | 2.99 (3) | 143 (6) |
N1o—H1n1o···O24e | 0.87 (5) | 2.47 (6) | 3.11 (3) | 131 (6) |
O4w—H2n1o···O24o | 1.07 (6) | 2.36 (6) | 3.28 (3) | 144 (5) |
O4w—H2n1o···N1o | 1.07 (6) | 0.87 (7) | 1.48 (5) | 99 (5) |
O4w—H2n1o···C1oii | 1.07 (6) | 2.24 (6) | 3.04 (4) | 130 (5) |
O4w—H2n1o···C2o | 1.07 (6) | 2.02 (7) | 2.90 (3) | 138 (4) |
O4w—H2n1o···C5oii | 1.07 (6) | 1.98 (6) | 2.98 (3) | 154 (5) |
N1o—H2n1o···O4w | 0.87 (7) | 1.07 (6) | 1.48 (5) | 99 (5) |
N1o—H2n1o···O24o | 0.87 (7) | 2.36 (6) | 2.66 (4) | 100 (5) |
N1o—H2n1o···C1oii | 0.87 (7) | 2.24 (6) | 2.72 (5) | 115 (6) |
Symmetry codes: (i) −x+2, −y, −z+1; (ii) −x+2, −y+1, −z; (iii) −x+1, −y+1, −z+1; (iv) x−1, y, z; (v) x+1, y, z; (vi) x+1, y+1, z; (vii) −x+1, −y+1, −z; (viii) −x+1, −y, −z; (ix) x, y+1, z; (x) x−1, y+1, z; (xi) x, y−1, z. |
Mo—O bond lengths (Å) in [P2Mo5O23]6- top | Terminal (Mo—O) | Bridging (Mo—O—Mo) | Bridging (Mo—O—P) |
Min (this work) | 1.626 | 1.798 | 2.221 |
Max (this work) | 1.749 | 2.017 | 2.428 |
Average (this work) | 1.707 | 1.922 | 2.311 |
Average (Qu et al., 2011) | 1.694 | 1.926 | 2.298 |
Average (Ganesan & Natarajan, 2005) | 1.763 | 1.977 | 2.270 |
Average (Liu et al., 2007) | 1.711 | 2.077 | 2.293 |