The title compound, [Cr3(C3H5O2)6O(H2O)3]NO3·0.5H2O, has a trinuclear cluster structure with three Cr atoms in a triangle linked through a μ3-oxo bridge, each Cr atom having a terminal water molecule as ligand, and pairs of Cr atoms being additionally bridged by two propionate ligands. There are two chemically equivalent but independent triaqua-μ3-oxo-hexa-μ2-propionato-κ12O:O′-trichromium cations, two NO3− anions and one water solvent molecule in the asymmetric unit. Extensive hydrogen bonds lead to zigzag stacks of cations along the b axis.
Supporting information
CCDC reference: 610855
Key indicators
- Single-crystal X-ray study
- T = 193 K
- Mean (O-N) = 0.007 Å
- Disorder in main residue
- R factor = 0.043
- wR factor = 0.126
- Data-to-parameter ratio = 15.8
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C15
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C15'
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C24
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C24'
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C36
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C36'
Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio
PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.87
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.03 Ratio
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.35 Ratio
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.02 Ratio
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3'
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C6
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C6'
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9'
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C18
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C18'
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O24
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O27
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C30
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C30'
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C33
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C33'
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14'
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cr5
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cr6
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23'
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C32'
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C35
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C35'
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N1
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N2
PLAT301_ALERT_3_C Main Residue Disorder ......................... 24.00 Perc.
PLAT417_ALERT_2_C Short Inter D-H..H-D H26H .. H26H .. 2.14 Ang.
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 50.00 A 3
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 15
Alert level G
ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be
replaced by the scaled T values. Since the ratio of scaled T's
is identical to the ratio of reported T values, the scaling
does not imply a change to the absorption corrections used in
the study.
Ratio of Tmax expected/reported 0.868
Tmax scaled 0.868 Tmin scaled 0.642
0 ALERT level A = In general: serious problem
6 ALERT level B = Potentially serious problem
37 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
33 ALERT type 2 Indicator that the structure model may be wrong or deficient
3 ALERT type 3 Indicator that the structure quality may be low
5 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART-NT (Bruker, 2001); cell refinement: SMART-NT; data reduction: SAINT-NT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-NT (Bruker, 2000); software used to prepare material for publication: SHELXTL-NT.
Triaqua-µ
3-oxo-hexa-µ
2-propionato-
κ12O:
O'-trichromium(II)
nitrate hemihydrate
top
Crystal data top
[Cr3(C3H5O2)6O(H2O)3]NO3·0.5H2O | F(000) = 6080 |
Mr = 735.49 | Dx = 1.544 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 31.836 (8) Å | Cell parameters from 996 reflections |
b = 12.844 (3) Å | θ = 2.6–26.1° |
c = 31.837 (7) Å | µ = 1.09 mm−1 |
β = 103.549 (7)° | T = 193 K |
V = 12656 (5) Å3 | Prism, green |
Z = 16 | 0.40 × 0.20 × 0.13 mm |
Data collection top
Bruker SMART CCD area-detector diffractometer | 12916 independent reflections |
Radiation source: fine-focus sealed tube | 9325 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.043 |
φ and ω scans | θmax = 26.4°, θmin = 1.3° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −39→39 |
Tmin = 0.74, Tmax = 1 | k = −16→16 |
52397 measured reflections | l = −39→39 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.043 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.126 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0605P)2 + 29.355P] where P = (Fo2 + 2Fc2)/3 |
12916 reflections | (Δ/σ)max = 0.001 |
820 parameters | Δρmax = 0.70 e Å−3 |
276 restraints | Δρmin = −0.59 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Cr1 | 0.249527 (16) | 0.14785 (4) | 0.685163 (16) | 0.02822 (12) | |
Cr2 | 0.261856 (16) | −0.10440 (4) | 0.690339 (17) | 0.02854 (12) | |
Cr3 | 0.179150 (17) | −0.00236 (4) | 0.620833 (17) | 0.03026 (13) | |
Cr4 | 0.457614 (17) | 0.89272 (4) | 0.550987 (18) | 0.03204 (13) | |
Cr5 | 0.445945 (17) | 0.64152 (4) | 0.540585 (18) | 0.03188 (13) | |
Cr6 | 0.399911 (18) | 0.76595 (4) | 0.60751 (2) | 0.03702 (14) | |
O1 | 0.23020 (7) | 0.01369 (16) | 0.66487 (7) | 0.0271 (5) | |
O2 | 0.30928 (8) | 0.11817 (19) | 0.68170 (9) | 0.0440 (6) | |
O3 | 0.26513 (9) | 0.11663 (19) | 0.74721 (8) | 0.0422 (6) | |
O4 | 0.27010 (8) | 0.29272 (18) | 0.70457 (7) | 0.0412 (6) | |
H4H | 0.2781 | 0.3075 | 0.7302 | 0.062* | |
H4G | 0.2844 | 0.3304 | 0.6924 | 0.062* | |
O5 | 0.19276 (8) | 0.19021 (18) | 0.69542 (8) | 0.0388 (6) | |
O6 | 0.23773 (9) | 0.21089 (19) | 0.62785 (8) | 0.0452 (6) | |
O7 | 0.28066 (8) | −0.05152 (19) | 0.74970 (8) | 0.0412 (6) | |
O8 | 0.31688 (7) | −0.05416 (19) | 0.67799 (8) | 0.0392 (6) | |
O9 | 0.29527 (8) | −0.23273 (17) | 0.71723 (7) | 0.0405 (6) | |
H9G | 0.2980 | −0.2860 | 0.7042 | 0.061* | |
H9H | 0.2993 | −0.2500 | 0.7426 | 0.061* | |
O10 | 0.25275 (9) | −0.1870 (2) | 0.63766 (8) | 0.0456 (6) | |
O11 | 0.21037 (7) | −0.16077 (19) | 0.70755 (8) | 0.0396 (6) | |
O12 | 0.20209 (8) | −0.1083 (2) | 0.58753 (8) | 0.0465 (6) | |
O13 | 0.12322 (8) | −0.0196 (2) | 0.57430 (8) | 0.0450 (6) | |
H13G | 0.0998 | −0.0280 | 0.5803 | 0.067* | |
H13H | 0.1219 | −0.0540 | 0.5524 | 0.067* | |
O14 | 0.15600 (8) | −0.1102 (2) | 0.65356 (8) | 0.0448 (6) | |
O15 | 0.14578 (8) | 0.0980 (2) | 0.64671 (8) | 0.0448 (6) | |
O16 | 0.19398 (8) | 0.1046 (2) | 0.58238 (8) | 0.0450 (6) | |
O17 | 0.47760 (9) | 0.9401 (2) | 0.61090 (9) | 0.0525 (7) | |
O18 | 0.40300 (9) | 0.9677 (2) | 0.54247 (10) | 0.0507 (7) | |
O19 | 0.47990 (8) | 1.03178 (18) | 0.53469 (9) | 0.0481 (7) | |
H19G | 0.5060 | 1.0387 | 0.5375 | 0.072* | |
H19H | 0.4720 | 1.0855 | 0.5444 | 0.072* | |
O20 | 0.44274 (9) | 0.8630 (2) | 0.48794 (8) | 0.0496 (7) | |
O21 | 0.51640 (8) | 0.84030 (19) | 0.55530 (9) | 0.0469 (6) | |
O22 | 0.50698 (8) | 0.67122 (19) | 0.54284 (9) | 0.0455 (6) | |
O23 | 0.42599 (10) | 0.6952 (2) | 0.48146 (8) | 0.0522 (7) | |
O24 | 0.38807 (9) | 0.5831 (2) | 0.53380 (12) | 0.0645 (9) | |
O25 | 0.46674 (9) | 0.5699 (2) | 0.59644 (9) | 0.0510 (7) | |
O26 | 0.45744 (9) | 0.50392 (18) | 0.51275 (8) | 0.0485 (7) | |
H26G | 0.4557 | 0.4497 | 0.5254 | 0.073* | |
H26H | 0.4658 | 0.4879 | 0.4913 | 0.073* | |
O27 | 0.36620 (9) | 0.8900 (2) | 0.58464 (10) | 0.0549 (7) | |
O28 | 0.35382 (9) | 0.6784 (2) | 0.57310 (11) | 0.0604 (8) | |
O29 | 0.42666 (10) | 0.6405 (2) | 0.63729 (9) | 0.0570 (8) | |
O30 | 0.44103 (10) | 0.8499 (2) | 0.64971 (9) | 0.0559 (7) | |
O31 | 0.36371 (9) | 0.76514 (19) | 0.65300 (11) | 0.0593 (8) | |
H31G | 0.3481 | 0.7154 | 0.6544 | 0.089* | |
H31H | 0.3490 | 0.8166 | 0.6546 | 0.089* | |
O32 | 0.43444 (7) | 0.76706 (17) | 0.56654 (7) | 0.0318 (5) | |
O33 | 0.3195 (2) | 0.5237 (4) | 0.7203 (2) | 0.147 (2) | |
O34 | 0.31138 (17) | 0.6008 (3) | 0.6625 (2) | 0.137 (2) | |
O35 | 0.31293 (16) | 0.4329 (3) | 0.66550 (14) | 0.0996 (14) | |
O36 | 0.4897 (2) | 0.2790 (5) | 0.5591 (2) | 0.155 (2) | |
O37 | 0.4442 (2) | 0.1858 (4) | 0.5723 (3) | 0.194 (4) | |
O38 | 0.4354 (2) | 0.3468 (4) | 0.5605 (2) | 0.159 (2) | |
O39 | 0.54383 (10) | 0.4578 (3) | 0.58594 (14) | 0.0863 (12) | |
H39H | 0.5322 | 0.4976 | 0.5998 | 0.129* | |
H39G | 0.5303 | 0.4031 | 0.5847 | 0.129* | |
N1 | 0.31604 (15) | 0.5193 (3) | 0.68205 (19) | 0.0750 (13) | |
N2 | 0.45770 (19) | 0.2684 (3) | 0.5659 (2) | 0.0910 (16) | |
C1 | 0.27884 (11) | 0.0347 (3) | 0.76714 (10) | 0.0354 (8) | |
C2 | 0.2993 (5) | 0.0543 (11) | 0.8147 (3) | 0.045 (3) | 0.50 |
H2A | 0.3235 | 0.1040 | 0.8172 | 0.054* | 0.50 |
H2B | 0.2776 | 0.0865 | 0.8284 | 0.054* | 0.50 |
C3 | 0.3159 (5) | −0.0449 (16) | 0.8387 (5) | 0.074 (4) | 0.50 |
H3A | 0.3282 | −0.0289 | 0.8692 | 0.111* | 0.50 |
H3B | 0.3383 | −0.0756 | 0.8259 | 0.111* | 0.50 |
H3C | 0.2920 | −0.0943 | 0.8363 | 0.111* | 0.50 |
C2' | 0.2906 (5) | 0.0340 (12) | 0.8164 (3) | 0.045 (3) | 0.50 |
H2'A | 0.2971 | 0.1059 | 0.8272 | 0.054* | 0.50 |
H2'B | 0.2657 | 0.0082 | 0.8271 | 0.054* | 0.50 |
C3' | 0.3297 (4) | −0.0350 (17) | 0.8339 (5) | 0.074 (4) | 0.50 |
H3'A | 0.3366 | −0.0338 | 0.8655 | 0.111* | 0.50 |
H3'B | 0.3545 | −0.0090 | 0.8236 | 0.111* | 0.50 |
H3'C | 0.3232 | −0.1065 | 0.8237 | 0.111* | 0.50 |
C4 | 0.33077 (10) | 0.0380 (3) | 0.67878 (11) | 0.0368 (8) | |
C5 | 0.3757 (3) | 0.0502 (12) | 0.6708 (6) | 0.052 (3) | 0.50 |
H5A | 0.3739 | 0.0447 | 0.6395 | 0.062* | 0.50 |
H5B | 0.3943 | −0.0070 | 0.6855 | 0.062* | 0.50 |
C6 | 0.3963 (4) | 0.1555 (11) | 0.6876 (5) | 0.087 (3) | 0.50 |
H6A | 0.4251 | 0.1606 | 0.6816 | 0.130* | 0.50 |
H6B | 0.3988 | 0.1604 | 0.7188 | 0.130* | 0.50 |
H6C | 0.3781 | 0.2124 | 0.6729 | 0.130* | 0.50 |
C5' | 0.3786 (3) | 0.0555 (11) | 0.6824 (6) | 0.052 (3) | 0.50 |
H5'A | 0.3900 | −0.0007 | 0.6668 | 0.062* | 0.50 |
H5'B | 0.3942 | 0.0524 | 0.7131 | 0.062* | 0.50 |
C6' | 0.3873 (4) | 0.1621 (11) | 0.6633 (4) | 0.087 (3) | 0.50 |
H6'A | 0.4184 | 0.1708 | 0.6662 | 0.130* | 0.50 |
H6'B | 0.3765 | 0.2179 | 0.6790 | 0.130* | 0.50 |
H6'C | 0.3723 | 0.1649 | 0.6327 | 0.130* | 0.50 |
C7 | 0.15480 (11) | 0.1601 (3) | 0.67773 (12) | 0.0380 (8) | |
C8 | 0.1206 (3) | 0.198 (2) | 0.7012 (6) | 0.059 (3) | 0.50 |
H8A | 0.1259 | 0.2722 | 0.7096 | 0.071* | 0.50 |
H8B | 0.1224 | 0.1569 | 0.7278 | 0.071* | 0.50 |
C9 | 0.0750 (3) | 0.1862 (13) | 0.6708 (5) | 0.092 (4) | 0.50 |
H9A | 0.0530 | 0.2066 | 0.6863 | 0.138* | 0.50 |
H9B | 0.0704 | 0.1135 | 0.6616 | 0.138* | 0.50 |
H9C | 0.0727 | 0.2310 | 0.6455 | 0.138* | 0.50 |
C8' | 0.1169 (4) | 0.205 (2) | 0.6913 (6) | 0.059 (3) | 0.50 |
H8'A | 0.1262 | 0.2211 | 0.7225 | 0.071* | 0.50 |
H8'B | 0.1098 | 0.2720 | 0.6760 | 0.071* | 0.50 |
C9' | 0.0772 (3) | 0.1455 (12) | 0.6850 (5) | 0.092 (4) | 0.50 |
H9'A | 0.0554 | 0.1865 | 0.6948 | 0.138* | 0.50 |
H9'B | 0.0826 | 0.0806 | 0.7015 | 0.138* | 0.50 |
H9'C | 0.0667 | 0.1294 | 0.6542 | 0.138* | 0.50 |
C10 | 0.21653 (12) | 0.1853 (3) | 0.59109 (11) | 0.0369 (8) | |
C11 | 0.2135 (7) | 0.2572 (15) | 0.5524 (5) | 0.047 (3) | 0.50 |
H11A | 0.1829 | 0.2632 | 0.5365 | 0.057* | 0.50 |
H11B | 0.2299 | 0.2263 | 0.5326 | 0.057* | 0.50 |
C12 | 0.2313 (10) | 0.3657 (11) | 0.5657 (11) | 0.062 (4) | 0.50 |
H12A | 0.2290 | 0.4089 | 0.5399 | 0.093* | 0.50 |
H12B | 0.2617 | 0.3604 | 0.5812 | 0.093* | 0.50 |
H12C | 0.2146 | 0.3976 | 0.5846 | 0.093* | 0.50 |
C11' | 0.2236 (7) | 0.2588 (14) | 0.5556 (5) | 0.047 (3) | 0.50 |
H11C | 0.2516 | 0.2422 | 0.5488 | 0.057* | 0.50 |
H11D | 0.2006 | 0.2472 | 0.5292 | 0.057* | 0.50 |
C12' | 0.2235 (10) | 0.3730 (10) | 0.5688 (11) | 0.062 (4) | 0.50 |
H12D | 0.2280 | 0.4169 | 0.5450 | 0.093* | 0.50 |
H12E | 0.2468 | 0.3852 | 0.5945 | 0.093* | 0.50 |
H12F | 0.1957 | 0.3901 | 0.5752 | 0.093* | 0.50 |
C13 | 0.22990 (12) | −0.1774 (3) | 0.59990 (12) | 0.0424 (9) | |
C14 | 0.2356 (5) | −0.2716 (9) | 0.5720 (4) | 0.056 (3) | 0.50 |
H14A | 0.2656 | −0.2736 | 0.5685 | 0.067* | 0.50 |
H14B | 0.2302 | −0.3365 | 0.5867 | 0.067* | 0.50 |
C15 | 0.2044 (5) | −0.2657 (11) | 0.5276 (3) | 0.107 (4) | 0.50 |
H15A | 0.2094 | −0.3250 | 0.5100 | 0.161* | 0.50 |
H15B | 0.2093 | −0.2007 | 0.5133 | 0.161* | 0.50 |
H15C | 0.1746 | −0.2675 | 0.5310 | 0.161* | 0.50 |
C14' | 0.2394 (5) | −0.2452 (9) | 0.5636 (4) | 0.056 (3) | 0.50 |
H14C | 0.2437 | −0.2003 | 0.5397 | 0.067* | 0.50 |
H14D | 0.2662 | −0.2855 | 0.5746 | 0.067* | 0.50 |
C15' | 0.2018 (5) | −0.3198 (10) | 0.5469 (4) | 0.107 (4) | 0.50 |
H15D | 0.2085 | −0.3643 | 0.5244 | 0.161* | 0.50 |
H15E | 0.1755 | −0.2796 | 0.5349 | 0.161* | 0.50 |
H15F | 0.1972 | −0.3631 | 0.5708 | 0.161* | 0.50 |
C16 | 0.17052 (11) | −0.1534 (3) | 0.68904 (12) | 0.0394 (8) | |
C17 | 0.1407 (3) | −0.1888 (10) | 0.7177 (3) | 0.045 (2) | 0.50 |
H17A | 0.1480 | −0.2613 | 0.7272 | 0.054* | 0.50 |
H17B | 0.1458 | −0.1443 | 0.7438 | 0.054* | 0.50 |
C18 | 0.0933 (3) | −0.1833 (12) | 0.6947 (5) | 0.077 (3) | 0.50 |
H18A | 0.0757 | −0.2079 | 0.7141 | 0.116* | 0.50 |
H18B | 0.0881 | −0.2272 | 0.6688 | 0.116* | 0.50 |
H18C | 0.0856 | −0.1111 | 0.6863 | 0.116* | 0.50 |
C17' | 0.1368 (3) | −0.2140 (9) | 0.7065 (4) | 0.045 (2) | 0.50 |
H17C | 0.1273 | −0.2757 | 0.6881 | 0.054* | 0.50 |
H17D | 0.1499 | −0.2387 | 0.7361 | 0.054* | 0.50 |
C18' | 0.0976 (3) | −0.1460 (11) | 0.7074 (5) | 0.077 (3) | 0.50 |
H18D | 0.0767 | −0.1862 | 0.7190 | 0.116* | 0.50 |
H18E | 0.0840 | −0.1232 | 0.6779 | 0.116* | 0.50 |
H18F | 0.1069 | −0.0849 | 0.7257 | 0.116* | 0.50 |
C19 | 0.53011 (10) | 0.7511 (3) | 0.55048 (12) | 0.0366 (8) | |
C20 | 0.5785 (3) | 0.7344 (12) | 0.5592 (7) | 0.051 (2) | 0.50 |
H20A | 0.5847 | 0.6829 | 0.5383 | 0.061* | 0.50 |
H20B | 0.5889 | 0.7054 | 0.5886 | 0.061* | 0.50 |
C21 | 0.6030 (3) | 0.8360 (13) | 0.5554 (4) | 0.067 (3) | 0.50 |
H21A | 0.6341 | 0.8218 | 0.5617 | 0.100* | 0.50 |
H21B | 0.5969 | 0.8871 | 0.5760 | 0.100* | 0.50 |
H21C | 0.5934 | 0.8636 | 0.5260 | 0.100* | 0.50 |
C20' | 0.5773 (3) | 0.7387 (13) | 0.5501 (7) | 0.051 (2) | 0.50 |
H20C | 0.5805 | 0.7396 | 0.5199 | 0.061* | 0.50 |
H20D | 0.5879 | 0.6706 | 0.5629 | 0.061* | 0.50 |
C21' | 0.6048 (3) | 0.8264 (13) | 0.5757 (4) | 0.067 (3) | 0.50 |
H21D | 0.6350 | 0.8178 | 0.5742 | 0.100* | 0.50 |
H21E | 0.6029 | 0.8235 | 0.6060 | 0.100* | 0.50 |
H21F | 0.5941 | 0.8939 | 0.5633 | 0.100* | 0.50 |
C22 | 0.46964 (12) | 0.9123 (3) | 0.64578 (12) | 0.0460 (9) | |
C23 | 0.4926 (4) | 0.9747 (11) | 0.6853 (4) | 0.061 (3) | 0.50 |
H23A | 0.4819 | 1.0473 | 0.6826 | 0.073* | 0.50 |
H23B | 0.4860 | 0.9442 | 0.7116 | 0.073* | 0.50 |
C24 | 0.5413 (3) | 0.9745 (13) | 0.6899 (5) | 0.120 (4) | 0.50 |
H24A | 0.5553 | 1.0152 | 0.7154 | 0.181* | 0.50 |
H24B | 0.5479 | 1.0056 | 0.6640 | 0.181* | 0.50 |
H24C | 0.5521 | 0.9028 | 0.6931 | 0.181* | 0.50 |
C23' | 0.5009 (4) | 0.9433 (9) | 0.6882 (4) | 0.061 (3) | 0.50 |
H23C | 0.5230 | 0.8881 | 0.6970 | 0.073* | 0.50 |
H23D | 0.4849 | 0.9505 | 0.7112 | 0.073* | 0.50 |
C24' | 0.5234 (5) | 1.0469 (11) | 0.6827 (5) | 0.120 (4) | 0.50 |
H24D | 0.5428 | 1.0665 | 0.7103 | 0.181* | 0.50 |
H24E | 0.5015 | 1.1012 | 0.6737 | 0.181* | 0.50 |
H24F | 0.5401 | 1.0388 | 0.6607 | 0.181* | 0.50 |
C25 | 0.37093 (11) | 0.9586 (3) | 0.55828 (12) | 0.0408 (8) | |
C26 | 0.3377 (4) | 1.0466 (11) | 0.5507 (5) | 0.054 (3) | 0.50 |
H26A | 0.3364 | 1.0786 | 0.5221 | 0.065* | 0.50 |
H26B | 0.3468 | 1.1009 | 0.5730 | 0.065* | 0.50 |
C27 | 0.2926 (3) | 1.0068 (19) | 0.5523 (8) | 0.074 (4) | 0.50 |
H27A | 0.2721 | 1.0650 | 0.5474 | 0.111* | 0.50 |
H27B | 0.2937 | 0.9759 | 0.5807 | 0.111* | 0.50 |
H27C | 0.2832 | 0.9541 | 0.5298 | 0.111* | 0.50 |
C26' | 0.3343 (5) | 1.0325 (13) | 0.5389 (5) | 0.054 (3) | 0.50 |
H26C | 0.3232 | 1.0150 | 0.5080 | 0.065* | 0.50 |
H26D | 0.3458 | 1.1044 | 0.5405 | 0.065* | 0.50 |
C27' | 0.2971 (4) | 1.0286 (19) | 0.5614 (8) | 0.074 (4) | 0.50 |
H27D | 0.2746 | 1.0779 | 0.5475 | 0.111* | 0.50 |
H27E | 0.3077 | 1.0474 | 0.5919 | 0.111* | 0.50 |
H27F | 0.2851 | 0.9581 | 0.5593 | 0.111* | 0.50 |
C28 | 0.42770 (12) | 0.7844 (3) | 0.46633 (11) | 0.0436 (9) | |
C29 | 0.4024 (4) | 0.8033 (11) | 0.4197 (3) | 0.056 (3) | 0.50 |
H29A | 0.3994 | 0.7367 | 0.4036 | 0.067* | 0.50 |
H29B | 0.3730 | 0.8283 | 0.4198 | 0.067* | 0.50 |
C30 | 0.4247 (4) | 0.8829 (11) | 0.3968 (4) | 0.091 (3) | 0.50 |
H30A | 0.4078 | 0.8923 | 0.3671 | 0.136* | 0.50 |
H30B | 0.4537 | 0.8580 | 0.3964 | 0.136* | 0.50 |
H30C | 0.4269 | 0.9494 | 0.4122 | 0.136* | 0.50 |
C29' | 0.4150 (5) | 0.7906 (10) | 0.4173 (3) | 0.056 (3) | 0.50 |
H29C | 0.4394 | 0.7661 | 0.4055 | 0.067* | 0.50 |
H29D | 0.3901 | 0.7441 | 0.4063 | 0.067* | 0.50 |
C30' | 0.4032 (5) | 0.9005 (10) | 0.4020 (4) | 0.091 (3) | 0.50 |
H30D | 0.3948 | 0.9016 | 0.3703 | 0.136* | 0.50 |
H30E | 0.4282 | 0.9463 | 0.4120 | 0.136* | 0.50 |
H30F | 0.3790 | 0.9248 | 0.4136 | 0.136* | 0.50 |
C31 | 0.35649 (12) | 0.6029 (3) | 0.54944 (17) | 0.0575 (12) | |
C32 | 0.3174 (3) | 0.5364 (8) | 0.5294 (4) | 0.061 (3) | 0.50 |
H32A | 0.2946 | 0.5485 | 0.5454 | 0.074* | 0.50 |
H32B | 0.3058 | 0.5590 | 0.4992 | 0.074* | 0.50 |
C33 | 0.3268 (5) | 0.4243 (7) | 0.5297 (5) | 0.095 (4) | 0.50 |
H33A | 0.3004 | 0.3862 | 0.5162 | 0.143* | 0.50 |
H33B | 0.3372 | 0.4006 | 0.5596 | 0.143* | 0.50 |
H33C | 0.3490 | 0.4114 | 0.5136 | 0.143* | 0.50 |
C32' | 0.3206 (3) | 0.5230 (8) | 0.5477 (4) | 0.061 (3) | 0.50 |
H32C | 0.3046 | 0.5410 | 0.5699 | 0.074* | 0.50 |
H32D | 0.3001 | 0.5270 | 0.5191 | 0.074* | 0.50 |
C33' | 0.3367 (5) | 0.4151 (7) | 0.5551 (5) | 0.095 (4) | 0.50 |
H33D | 0.3123 | 0.3676 | 0.5536 | 0.143* | 0.50 |
H33E | 0.3565 | 0.4100 | 0.5837 | 0.143* | 0.50 |
H33F | 0.3520 | 0.3960 | 0.5329 | 0.143* | 0.50 |
C34 | 0.45262 (13) | 0.5741 (3) | 0.63018 (13) | 0.0473 (9) | |
C35 | 0.4729 (5) | 0.5043 (12) | 0.6683 (5) | 0.064 (3) | 0.50 |
H35A | 0.4910 | 0.5465 | 0.6917 | 0.077* | 0.50 |
H35B | 0.4916 | 0.4515 | 0.6591 | 0.077* | 0.50 |
C36 | 0.4365 (5) | 0.4498 (12) | 0.6849 (5) | 0.122 (5) | 0.50 |
H36A | 0.4494 | 0.4048 | 0.7094 | 0.184* | 0.50 |
H36B | 0.4189 | 0.4076 | 0.6617 | 0.184* | 0.50 |
H36C | 0.4183 | 0.5024 | 0.6942 | 0.184* | 0.50 |
C35' | 0.4654 (6) | 0.4827 (11) | 0.6608 (4) | 0.064 (3) | 0.50 |
H35C | 0.4971 | 0.4723 | 0.6667 | 0.077* | 0.50 |
H35D | 0.4512 | 0.4186 | 0.6471 | 0.077* | 0.50 |
C36' | 0.4520 (6) | 0.5023 (12) | 0.7038 (4) | 0.122 (5) | 0.50 |
H36D | 0.4607 | 0.4427 | 0.7231 | 0.184* | 0.50 |
H36E | 0.4206 | 0.5113 | 0.6980 | 0.184* | 0.50 |
H36F | 0.4664 | 0.5654 | 0.7175 | 0.184* | 0.50 |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cr1 | 0.0298 (3) | 0.0240 (3) | 0.0307 (3) | −0.0006 (2) | 0.0069 (2) | −0.0007 (2) |
Cr2 | 0.0286 (3) | 0.0249 (3) | 0.0336 (3) | 0.0028 (2) | 0.0102 (2) | 0.0022 (2) |
Cr3 | 0.0300 (3) | 0.0285 (3) | 0.0308 (3) | 0.0003 (2) | 0.0043 (2) | −0.0026 (2) |
Cr4 | 0.0343 (3) | 0.0271 (3) | 0.0379 (3) | −0.0009 (2) | 0.0148 (2) | −0.0026 (2) |
Cr5 | 0.0285 (3) | 0.0283 (3) | 0.0402 (3) | −0.0013 (2) | 0.0108 (2) | −0.0049 (2) |
Cr6 | 0.0360 (3) | 0.0326 (3) | 0.0488 (4) | 0.0036 (2) | 0.0228 (3) | 0.0018 (3) |
O1 | 0.0270 (11) | 0.0235 (11) | 0.0299 (11) | 0.0004 (9) | 0.0050 (9) | −0.0005 (9) |
O2 | 0.0346 (13) | 0.0368 (14) | 0.0633 (17) | −0.0039 (11) | 0.0168 (12) | −0.0082 (12) |
O3 | 0.0580 (16) | 0.0333 (13) | 0.0332 (13) | 0.0026 (12) | 0.0066 (12) | −0.0014 (10) |
O4 | 0.0517 (15) | 0.0301 (13) | 0.0423 (14) | −0.0089 (11) | 0.0117 (12) | −0.0049 (11) |
O5 | 0.0353 (13) | 0.0324 (13) | 0.0491 (15) | 0.0002 (10) | 0.0108 (11) | −0.0080 (11) |
O6 | 0.0605 (17) | 0.0357 (14) | 0.0374 (14) | −0.0087 (12) | 0.0071 (12) | 0.0061 (11) |
O7 | 0.0504 (15) | 0.0364 (14) | 0.0350 (13) | 0.0063 (11) | 0.0064 (11) | 0.0043 (11) |
O8 | 0.0330 (13) | 0.0362 (13) | 0.0519 (15) | 0.0029 (11) | 0.0170 (11) | 0.0040 (11) |
O9 | 0.0460 (15) | 0.0321 (13) | 0.0456 (14) | 0.0108 (11) | 0.0152 (12) | 0.0087 (11) |
O10 | 0.0511 (16) | 0.0373 (14) | 0.0460 (16) | 0.0128 (12) | 0.0064 (13) | −0.0088 (12) |
O11 | 0.0331 (13) | 0.0369 (13) | 0.0499 (15) | 0.0003 (10) | 0.0119 (11) | 0.0117 (11) |
O12 | 0.0492 (16) | 0.0501 (16) | 0.0380 (14) | 0.0090 (13) | 0.0057 (12) | −0.0117 (12) |
O13 | 0.0386 (14) | 0.0486 (15) | 0.0423 (15) | −0.0011 (12) | −0.0014 (11) | −0.0083 (12) |
O14 | 0.0372 (14) | 0.0508 (16) | 0.0436 (15) | −0.0103 (12) | 0.0038 (11) | 0.0060 (12) |
O15 | 0.0322 (13) | 0.0485 (15) | 0.0501 (15) | 0.0065 (11) | 0.0023 (11) | −0.0155 (13) |
O16 | 0.0506 (16) | 0.0445 (15) | 0.0356 (14) | −0.0066 (13) | 0.0016 (12) | 0.0052 (11) |
O17 | 0.0633 (18) | 0.0506 (16) | 0.0462 (16) | −0.0185 (14) | 0.0182 (14) | −0.0110 (13) |
O18 | 0.0422 (15) | 0.0410 (15) | 0.074 (2) | 0.0086 (12) | 0.0244 (14) | 0.0125 (14) |
O19 | 0.0566 (17) | 0.0330 (13) | 0.0635 (18) | −0.0065 (12) | 0.0318 (14) | −0.0029 (12) |
O20 | 0.0674 (18) | 0.0434 (15) | 0.0391 (15) | −0.0066 (13) | 0.0148 (13) | −0.0031 (12) |
O21 | 0.0361 (14) | 0.0348 (14) | 0.0738 (19) | −0.0026 (11) | 0.0212 (13) | −0.0039 (13) |
O22 | 0.0329 (13) | 0.0378 (14) | 0.0683 (18) | −0.0027 (11) | 0.0167 (13) | −0.0138 (13) |
O23 | 0.0689 (19) | 0.0431 (16) | 0.0403 (15) | 0.0004 (14) | 0.0042 (13) | −0.0067 (12) |
O24 | 0.0371 (15) | 0.0439 (16) | 0.119 (3) | −0.0122 (12) | 0.0305 (17) | −0.0291 (17) |
O25 | 0.0667 (18) | 0.0406 (15) | 0.0518 (17) | 0.0186 (13) | 0.0261 (14) | 0.0060 (12) |
O26 | 0.0584 (17) | 0.0368 (14) | 0.0543 (17) | 0.0006 (12) | 0.0210 (14) | −0.0112 (12) |
O27 | 0.0526 (17) | 0.0475 (16) | 0.074 (2) | 0.0195 (13) | 0.0345 (15) | 0.0144 (15) |
O28 | 0.0393 (15) | 0.0599 (19) | 0.089 (2) | −0.0100 (14) | 0.0287 (15) | −0.0137 (17) |
O29 | 0.0693 (19) | 0.0498 (16) | 0.0639 (19) | 0.0211 (15) | 0.0398 (16) | 0.0181 (14) |
O30 | 0.0618 (18) | 0.0675 (19) | 0.0453 (16) | −0.0125 (16) | 0.0264 (14) | −0.0100 (14) |
O31 | 0.0691 (19) | 0.0406 (15) | 0.087 (2) | 0.0045 (14) | 0.0572 (18) | 0.0047 (15) |
O32 | 0.0306 (12) | 0.0288 (12) | 0.0389 (13) | 0.0010 (9) | 0.0140 (10) | −0.0010 (10) |
O33 | 0.184 (6) | 0.121 (4) | 0.143 (5) | −0.017 (4) | 0.055 (5) | −0.058 (4) |
O34 | 0.133 (4) | 0.062 (3) | 0.214 (6) | −0.018 (3) | 0.035 (4) | 0.045 (3) |
O35 | 0.150 (4) | 0.054 (2) | 0.118 (3) | −0.026 (2) | 0.078 (3) | −0.017 (2) |
O36 | 0.133 (5) | 0.144 (5) | 0.213 (7) | −0.041 (4) | 0.092 (5) | −0.029 (5) |
O37 | 0.233 (7) | 0.048 (3) | 0.370 (10) | −0.010 (3) | 0.213 (7) | −0.004 (4) |
O38 | 0.164 (5) | 0.071 (3) | 0.260 (8) | 0.023 (3) | 0.086 (5) | −0.007 (4) |
O39 | 0.0453 (18) | 0.073 (2) | 0.144 (4) | 0.0083 (17) | 0.030 (2) | −0.024 (2) |
N1 | 0.077 (3) | 0.042 (2) | 0.111 (4) | −0.011 (2) | 0.035 (3) | −0.001 (3) |
N2 | 0.106 (4) | 0.032 (2) | 0.151 (5) | 0.002 (2) | 0.065 (4) | −0.007 (3) |
C1 | 0.0333 (18) | 0.040 (2) | 0.0334 (18) | −0.0024 (15) | 0.0092 (15) | −0.0005 (15) |
C2 | 0.052 (5) | 0.046 (5) | 0.035 (2) | −0.016 (4) | 0.003 (2) | 0.006 (2) |
C3 | 0.072 (8) | 0.069 (5) | 0.066 (4) | −0.005 (6) | −0.012 (5) | 0.008 (3) |
C2' | 0.052 (5) | 0.046 (5) | 0.035 (2) | −0.016 (4) | 0.003 (2) | 0.006 (2) |
C3' | 0.072 (8) | 0.069 (5) | 0.066 (4) | −0.005 (6) | −0.012 (5) | 0.008 (3) |
C4 | 0.0349 (18) | 0.042 (2) | 0.0360 (19) | −0.0023 (16) | 0.0131 (15) | −0.0055 (15) |
C5 | 0.040 (2) | 0.054 (3) | 0.068 (7) | −0.009 (2) | 0.025 (3) | −0.024 (4) |
C6 | 0.058 (5) | 0.087 (5) | 0.122 (9) | −0.020 (4) | 0.035 (6) | −0.015 (7) |
C5' | 0.040 (2) | 0.054 (3) | 0.068 (7) | −0.009 (2) | 0.025 (3) | −0.024 (4) |
C6' | 0.058 (5) | 0.087 (5) | 0.122 (9) | −0.020 (4) | 0.035 (6) | −0.015 (7) |
C7 | 0.0355 (19) | 0.0340 (19) | 0.044 (2) | 0.0035 (15) | 0.0093 (16) | −0.0013 (16) |
C8 | 0.038 (3) | 0.078 (4) | 0.061 (7) | 0.007 (3) | 0.013 (3) | −0.030 (5) |
C9 | 0.064 (4) | 0.100 (9) | 0.123 (8) | 0.000 (4) | 0.044 (4) | −0.025 (6) |
C8' | 0.038 (3) | 0.078 (4) | 0.061 (7) | 0.007 (3) | 0.013 (3) | −0.030 (5) |
C9' | 0.064 (4) | 0.100 (9) | 0.123 (8) | 0.000 (4) | 0.044 (4) | −0.025 (6) |
C10 | 0.041 (2) | 0.0362 (19) | 0.0338 (19) | 0.0041 (16) | 0.0100 (16) | 0.0055 (15) |
C11 | 0.044 (8) | 0.055 (3) | 0.041 (3) | 0.000 (4) | 0.007 (4) | 0.014 (2) |
C12 | 0.059 (8) | 0.058 (3) | 0.070 (4) | −0.009 (3) | 0.016 (5) | 0.024 (3) |
C11' | 0.044 (8) | 0.055 (3) | 0.041 (3) | 0.000 (4) | 0.007 (4) | 0.014 (2) |
C12' | 0.059 (8) | 0.058 (3) | 0.070 (4) | −0.009 (3) | 0.016 (5) | 0.024 (3) |
C13 | 0.043 (2) | 0.037 (2) | 0.049 (2) | −0.0011 (17) | 0.0142 (18) | −0.0129 (17) |
C14 | 0.067 (4) | 0.054 (6) | 0.047 (4) | 0.012 (4) | 0.015 (3) | −0.015 (4) |
C15 | 0.117 (6) | 0.100 (8) | 0.108 (7) | −0.009 (6) | 0.033 (6) | −0.055 (6) |
C14' | 0.067 (4) | 0.054 (6) | 0.047 (4) | 0.012 (4) | 0.015 (3) | −0.015 (4) |
C15' | 0.117 (6) | 0.100 (8) | 0.108 (7) | −0.009 (6) | 0.033 (6) | −0.055 (6) |
C16 | 0.038 (2) | 0.0327 (18) | 0.049 (2) | −0.0030 (15) | 0.0135 (17) | 0.0006 (16) |
C17 | 0.037 (3) | 0.052 (5) | 0.046 (5) | −0.018 (3) | 0.008 (3) | 0.000 (4) |
C18 | 0.060 (4) | 0.099 (8) | 0.081 (7) | −0.005 (4) | 0.036 (4) | −0.003 (5) |
C17' | 0.037 (3) | 0.052 (5) | 0.046 (5) | −0.018 (3) | 0.008 (3) | 0.000 (4) |
C18' | 0.060 (4) | 0.099 (8) | 0.081 (7) | −0.005 (4) | 0.036 (4) | −0.003 (5) |
C19 | 0.0307 (18) | 0.038 (2) | 0.042 (2) | −0.0007 (15) | 0.0099 (15) | −0.0039 (15) |
C20 | 0.031 (2) | 0.050 (3) | 0.072 (7) | −0.0007 (18) | 0.011 (2) | −0.010 (3) |
C21 | 0.037 (3) | 0.071 (4) | 0.090 (8) | −0.006 (3) | 0.007 (5) | −0.002 (7) |
C20' | 0.031 (2) | 0.050 (3) | 0.072 (7) | −0.0007 (18) | 0.011 (2) | −0.010 (3) |
C21' | 0.037 (3) | 0.071 (4) | 0.090 (8) | −0.006 (3) | 0.007 (5) | −0.002 (7) |
C22 | 0.044 (2) | 0.054 (2) | 0.040 (2) | 0.0026 (19) | 0.0100 (17) | −0.0090 (18) |
C23 | 0.057 (5) | 0.073 (7) | 0.049 (3) | 0.005 (5) | 0.006 (3) | −0.018 (4) |
C24 | 0.109 (7) | 0.144 (9) | 0.095 (6) | −0.029 (6) | −0.002 (5) | −0.027 (7) |
C23' | 0.057 (5) | 0.073 (7) | 0.049 (3) | 0.005 (5) | 0.006 (3) | −0.018 (4) |
C24' | 0.109 (7) | 0.144 (9) | 0.095 (6) | −0.029 (6) | −0.002 (5) | −0.027 (7) |
C25 | 0.039 (2) | 0.0365 (19) | 0.045 (2) | 0.0080 (16) | 0.0060 (17) | −0.0023 (17) |
C26 | 0.050 (3) | 0.063 (4) | 0.051 (7) | 0.022 (3) | 0.013 (4) | 0.008 (5) |
C27 | 0.060 (4) | 0.089 (8) | 0.076 (8) | 0.026 (4) | 0.022 (4) | 0.001 (6) |
C26' | 0.050 (3) | 0.063 (4) | 0.051 (7) | 0.022 (3) | 0.013 (4) | 0.008 (5) |
C27' | 0.060 (4) | 0.089 (8) | 0.076 (8) | 0.026 (4) | 0.022 (4) | 0.001 (6) |
C28 | 0.046 (2) | 0.046 (2) | 0.038 (2) | 0.0012 (18) | 0.0083 (17) | −0.0072 (17) |
C29 | 0.070 (7) | 0.055 (4) | 0.042 (3) | 0.011 (4) | 0.011 (3) | −0.005 (2) |
C30 | 0.104 (8) | 0.072 (5) | 0.076 (4) | 0.013 (6) | −0.018 (5) | 0.009 (4) |
C29' | 0.070 (7) | 0.055 (4) | 0.042 (3) | 0.011 (4) | 0.011 (3) | −0.005 (2) |
C30' | 0.104 (8) | 0.072 (5) | 0.076 (4) | 0.013 (6) | −0.018 (5) | 0.009 (4) |
C31 | 0.033 (2) | 0.046 (2) | 0.097 (4) | −0.0058 (18) | 0.020 (2) | −0.007 (2) |
C32 | 0.045 (3) | 0.065 (4) | 0.076 (7) | −0.018 (3) | 0.018 (5) | 0.003 (5) |
C33 | 0.081 (6) | 0.083 (5) | 0.124 (9) | −0.035 (4) | 0.031 (7) | −0.014 (6) |
C32' | 0.045 (3) | 0.065 (4) | 0.076 (7) | −0.018 (3) | 0.018 (5) | 0.003 (5) |
C33' | 0.081 (6) | 0.083 (5) | 0.124 (9) | −0.035 (4) | 0.031 (7) | −0.014 (6) |
C34 | 0.052 (2) | 0.038 (2) | 0.056 (2) | 0.0076 (18) | 0.021 (2) | 0.0087 (18) |
C35 | 0.082 (5) | 0.056 (5) | 0.061 (5) | 0.019 (4) | 0.029 (4) | 0.018 (4) |
C36 | 0.139 (8) | 0.116 (8) | 0.115 (8) | 0.008 (6) | 0.033 (6) | 0.061 (6) |
C35' | 0.082 (5) | 0.056 (5) | 0.061 (5) | 0.019 (4) | 0.029 (4) | 0.018 (4) |
C36' | 0.139 (8) | 0.116 (8) | 0.115 (8) | 0.008 (6) | 0.033 (6) | 0.061 (6) |
Geometric parameters (Å, º) top
Cr1—O1 | 1.892 (2) | C11—C12 | 1.526 (9) |
Cr1—O6 | 1.951 (3) | C11—H11A | 0.9900 |
Cr1—O3 | 1.962 (2) | C11—H11B | 0.9900 |
Cr1—O2 | 1.968 (2) | C12—H12A | 0.9800 |
Cr1—O5 | 1.986 (2) | C12—H12B | 0.9800 |
Cr1—O4 | 2.021 (2) | C12—H12C | 0.9800 |
Cr2—O1 | 1.895 (2) | C11'—C12' | 1.525 (9) |
Cr2—O10 | 1.948 (3) | C11'—H11C | 0.9900 |
Cr2—O7 | 1.965 (3) | C11'—H11D | 0.9900 |
Cr2—O11 | 1.983 (2) | C12'—H12D | 0.9800 |
Cr2—O8 | 1.991 (2) | C12'—H12E | 0.9800 |
Cr2—O9 | 2.038 (2) | C12'—H12F | 0.9800 |
Cr3—O1 | 1.893 (2) | C13—C14' | 1.532 (8) |
Cr3—O12 | 1.967 (2) | C13—C14 | 1.537 (8) |
Cr3—O16 | 1.969 (3) | C14—C15 | 1.525 (9) |
Cr3—O15 | 1.970 (2) | C14—H14A | 0.9900 |
Cr3—O14 | 1.977 (3) | C14—H14B | 0.9900 |
Cr3—O13 | 2.044 (2) | C15—H15A | 0.9800 |
Cr4—O32 | 1.888 (2) | C15—H15B | 0.9800 |
Cr4—O18 | 1.950 (3) | C15—H15C | 0.9800 |
Cr4—O17 | 1.961 (3) | C14'—C15' | 1.529 (9) |
Cr4—O21 | 1.963 (3) | C14'—H14C | 0.9900 |
Cr4—O20 | 1.988 (3) | C14'—H14D | 0.9900 |
Cr4—O19 | 2.033 (2) | C15'—H15D | 0.9800 |
Cr5—O32 | 1.886 (2) | C15'—H15E | 0.9800 |
Cr5—O24 | 1.954 (3) | C15'—H15F | 0.9800 |
Cr5—O23 | 1.965 (3) | C16—C17 | 1.532 (8) |
Cr5—O22 | 1.965 (2) | C16—C17' | 1.533 (8) |
Cr5—O25 | 1.974 (3) | C17—C18 | 1.516 (9) |
Cr5—O26 | 2.048 (2) | C17—H17A | 0.9900 |
Cr6—O32 | 1.893 (2) | C17—H17B | 0.9900 |
Cr6—O29 | 1.960 (3) | C18—H18A | 0.9800 |
Cr6—O27 | 1.964 (3) | C18—H18B | 0.9800 |
Cr6—O30 | 1.964 (3) | C18—H18C | 0.9800 |
Cr6—O28 | 1.966 (3) | C17'—C18' | 1.529 (9) |
Cr6—O31 | 2.051 (3) | C17'—H17C | 0.9900 |
O2—C4 | 1.252 (4) | C17'—H17D | 0.9900 |
O3—C1 | 1.253 (4) | C18'—H18D | 0.9800 |
O4—H4H | 0.820 | C18'—H18E | 0.9800 |
O4—H4G | 0.820 | C18'—H18F | 0.9800 |
O5—C7 | 1.268 (4) | C19—C20 | 1.514 (9) |
O6—C10 | 1.250 (4) | C19—C20' | 1.515 (9) |
O7—C1 | 1.246 (4) | C20—C21 | 1.539 (10) |
O8—C4 | 1.262 (4) | C20—H20A | 0.9900 |
O9—H9G | 0.816 | C20—H20B | 0.9900 |
O9—H9H | 0.819 | C21—H21A | 0.9800 |
O10—C13 | 1.257 (4) | C21—H21B | 0.9800 |
O11—C16 | 1.271 (4) | C21—H21C | 0.9800 |
O12—C13 | 1.251 (4) | C20'—C21' | 1.539 (9) |
O13—H13G | 0.819 | C20'—H20C | 0.9900 |
O13—H13H | 0.817 | C20'—H20D | 0.9900 |
O14—C16 | 1.246 (4) | C21'—H21D | 0.9800 |
O15—C7 | 1.249 (4) | C21'—H21E | 0.9800 |
O16—C10 | 1.255 (4) | C21'—H21F | 0.9800 |
O17—C22 | 1.248 (5) | C22—C23 | 1.527 (8) |
O18—C25 | 1.245 (4) | C22—C23' | 1.531 (9) |
O19—H19G | 0.818 | C23—C24 | 1.522 (9) |
O19—H19H | 0.820 | C23—H23A | 0.9900 |
O20—C28 | 1.251 (4) | C23—H23B | 0.9900 |
O21—C19 | 1.248 (4) | C24—H24A | 0.9800 |
O22—C19 | 1.253 (4) | C24—H24B | 0.9800 |
O23—C28 | 1.249 (4) | C24—H24C | 0.9800 |
O24—C31 | 1.248 (5) | C23'—C24' | 1.539 (9) |
O25—C34 | 1.259 (4) | C23'—H23C | 0.9900 |
O26—H26G | 0.813 | C23'—H23D | 0.9900 |
O26—H26H | 0.816 | C24'—H24D | 0.9800 |
O27—C25 | 1.250 (5) | C24'—H24E | 0.9800 |
O28—C31 | 1.243 (5) | C24'—H24F | 0.9800 |
O29—C34 | 1.245 (4) | C25—C26' | 1.517 (8) |
O30—C22 | 1.241 (5) | C25—C26 | 1.528 (8) |
O31—H31G | 0.816 | C26—C27 | 1.534 (9) |
O31—H31H | 0.818 | C26—H26A | 0.9900 |
O33—N1 | 1.197 (7) | C26—H26B | 0.9900 |
O34—N1 | 1.209 (6) | C27—H27A | 0.9800 |
O35—N1 | 1.222 (5) | C27—H27B | 0.9800 |
O36—N2 | 1.098 (6) | C27—H27C | 0.9800 |
O37—N2 | 1.181 (6) | C26'—C27' | 1.523 (9) |
O38—N2 | 1.221 (6) | C26'—H26C | 0.9900 |
O39—H39H | 0.818 | C26'—H26D | 0.9900 |
O39—H39G | 0.820 | C27'—H27D | 0.9800 |
C1—C2 | 1.524 (8) | C27'—H27E | 0.9800 |
C1—C2' | 1.524 (8) | C27'—H27F | 0.9800 |
C2—C3 | 1.515 (9) | C28—C29' | 1.520 (8) |
C2—H2A | 0.9900 | C28—C29 | 1.533 (8) |
C2—H2B | 0.9900 | C29—C30 | 1.524 (9) |
C3—H3A | 0.9800 | C29—H29A | 0.9900 |
C3—H3B | 0.9800 | C29—H29B | 0.9900 |
C3—H3C | 0.9800 | C30—H30A | 0.9800 |
C2'—C3' | 1.522 (9) | C30—H30B | 0.9800 |
C2'—H2'A | 0.9900 | C30—H30C | 0.9800 |
C2'—H2'B | 0.9900 | C29'—C30' | 1.512 (9) |
C3'—H3'A | 0.9800 | C29'—H29C | 0.9900 |
C3'—H3'B | 0.9800 | C29'—H29D | 0.9900 |
C3'—H3'C | 0.9800 | C30'—H30D | 0.9800 |
C4—C5 | 1.517 (8) | C30'—H30E | 0.9800 |
C4—C5' | 1.518 (8) | C30'—H30F | 0.9800 |
C5—C6 | 1.542 (9) | C31—C32 | 1.522 (8) |
C5—H5A | 0.9900 | C31—C32' | 1.528 (8) |
C5—H5B | 0.9900 | C32—C33 | 1.470 (9) |
C6—H6A | 0.9800 | C32—H32A | 0.9900 |
C6—H6B | 0.9800 | C32—H32B | 0.9900 |
C6—H6C | 0.9800 | C33—H33A | 0.9800 |
C5'—C6' | 1.547 (9) | C33—H33B | 0.9800 |
C5'—H5'A | 0.9900 | C33—H33C | 0.9800 |
C5'—H5'B | 0.9900 | C32'—C33' | 1.477 (9) |
C6'—H6'A | 0.9800 | C32'—H32C | 0.9900 |
C6'—H6'B | 0.9800 | C32'—H32D | 0.9900 |
C6'—H6'C | 0.9800 | C33'—H33D | 0.9800 |
C7—C8' | 1.490 (13) | C33'—H33E | 0.9800 |
C7—C8 | 1.538 (7) | C33'—H33F | 0.9800 |
C8—C9 | 1.553 (10) | C34—C35' | 1.520 (9) |
C8—H8A | 0.9900 | C34—C35 | 1.525 (9) |
C8—H8B | 0.9900 | C35—C36 | 1.550 (10) |
C9—H9A | 0.9800 | C35—H35A | 0.9900 |
C9—H9B | 0.9800 | C35—H35B | 0.9900 |
C9—H9C | 0.9800 | C36—H36A | 0.9800 |
C8'—C9' | 1.45 (2) | C36—H36B | 0.9800 |
C8'—H8'A | 0.9900 | C36—H36C | 0.9800 |
C8'—H8'B | 0.9900 | C35'—C36' | 1.545 (10) |
C9'—H9'A | 0.9800 | C35'—H35C | 0.9900 |
C9'—H9'B | 0.9800 | C35'—H35D | 0.9900 |
C9'—H9'C | 0.9800 | C36'—H36D | 0.9800 |
C10—C11 | 1.524 (9) | C36'—H36E | 0.9800 |
C10—C11' | 1.527 (9) | C36'—H36F | 0.9800 |
| | | |
O1—Cr1—O6 | 94.75 (10) | H12A—C12—H12C | 109.5 |
O1—Cr1—O3 | 98.22 (10) | H12B—C12—H12C | 109.5 |
O6—Cr1—O3 | 167.01 (11) | C12'—C11'—C10 | 112.4 (9) |
O1—Cr1—O2 | 92.62 (10) | C12'—C11'—H11C | 109.1 |
O6—Cr1—O2 | 90.27 (12) | C10—C11'—H11C | 109.1 |
O3—Cr1—O2 | 89.82 (11) | C12'—C11'—H11D | 109.1 |
O1—Cr1—O5 | 94.02 (10) | C10—C11'—H11D | 109.1 |
O6—Cr1—O5 | 93.26 (11) | H11C—C11'—H11D | 107.9 |
O3—Cr1—O5 | 85.18 (11) | C11'—C12'—H12D | 109.5 |
O2—Cr1—O5 | 172.20 (11) | C11'—C12'—H12E | 109.5 |
O1—Cr1—O4 | 177.88 (9) | H12D—C12'—H12E | 109.5 |
O6—Cr1—O4 | 83.18 (10) | C11'—C12'—H12F | 109.5 |
O3—Cr1—O4 | 83.85 (10) | H12D—C12'—H12F | 109.5 |
O2—Cr1—O4 | 86.97 (10) | H12E—C12'—H12F | 109.5 |
O5—Cr1—O4 | 86.54 (10) | O12—C13—O10 | 125.4 (3) |
O1—Cr2—O10 | 96.37 (10) | O12—C13—C14' | 114.6 (7) |
O1—Cr2—O7 | 98.43 (10) | O10—C13—C14' | 119.6 (7) |
O10—Cr2—O7 | 165.15 (11) | O12—C13—C14 | 123.2 (6) |
O1—Cr2—O11 | 91.11 (10) | O10—C13—C14 | 110.9 (6) |
O10—Cr2—O11 | 94.19 (11) | C15—C14—C13 | 111.0 (8) |
O7—Cr2—O11 | 86.89 (11) | C15—C14—H14A | 109.4 |
O1—Cr2—O8 | 93.46 (10) | C13—C14—H14A | 109.4 |
O10—Cr2—O8 | 88.10 (11) | C15—C14—H14B | 109.4 |
O7—Cr2—O8 | 89.66 (11) | C13—C14—H14B | 109.4 |
O11—Cr2—O8 | 174.63 (10) | H14A—C14—H14B | 108.0 |
O1—Cr2—O9 | 179.21 (11) | C14—C15—H15A | 109.5 |
O10—Cr2—O9 | 83.03 (10) | C14—C15—H15B | 109.5 |
O7—Cr2—O9 | 82.19 (10) | H15A—C15—H15B | 109.5 |
O11—Cr2—O9 | 88.42 (10) | C14—C15—H15C | 109.5 |
O8—Cr2—O9 | 87.04 (10) | H15A—C15—H15C | 109.5 |
O1—Cr3—O12 | 96.42 (10) | H15B—C15—H15C | 109.5 |
O1—Cr3—O16 | 95.46 (10) | C15'—C14'—C13 | 110.0 (8) |
O12—Cr3—O16 | 88.49 (12) | C15'—C14'—H14C | 109.7 |
O1—Cr3—O15 | 94.16 (10) | C13—C14'—H14C | 109.7 |
O12—Cr3—O15 | 169.31 (11) | C15'—C14'—H14D | 109.7 |
O16—Cr3—O15 | 92.01 (12) | C13—C14'—H14D | 109.7 |
O1—Cr3—O14 | 92.72 (10) | H14C—C14'—H14D | 108.2 |
O12—Cr3—O14 | 91.76 (12) | C14'—C15'—H15D | 109.5 |
O16—Cr3—O14 | 171.74 (11) | C14'—C15'—H15E | 109.5 |
O15—Cr3—O14 | 86.23 (12) | H15D—C15'—H15E | 109.5 |
O1—Cr3—O13 | 178.72 (10) | C14'—C15'—H15F | 109.5 |
O12—Cr3—O13 | 84.55 (10) | H15D—C15'—H15F | 109.5 |
O16—Cr3—O13 | 85.40 (11) | H15E—C15'—H15F | 109.5 |
O15—Cr3—O13 | 84.85 (10) | O14—C16—O11 | 124.8 (3) |
O14—Cr3—O13 | 86.40 (11) | O14—C16—C17 | 121.5 (5) |
O32—Cr4—O18 | 93.90 (10) | O11—C16—C17 | 113.1 (5) |
O32—Cr4—O17 | 93.89 (11) | O14—C16—C17' | 114.4 (6) |
O18—Cr4—O17 | 93.30 (13) | O11—C16—C17' | 120.1 (6) |
O32—Cr4—O21 | 96.49 (10) | C18—C17—C16 | 112.6 (8) |
O18—Cr4—O21 | 169.53 (11) | C18—C17—H17A | 109.1 |
O17—Cr4—O21 | 87.23 (12) | C16—C17—H17A | 109.1 |
O32—Cr4—O20 | 94.88 (11) | C18—C17—H17B | 109.1 |
O18—Cr4—O20 | 87.75 (13) | C16—C17—H17B | 109.1 |
O17—Cr4—O20 | 171.08 (12) | H17A—C17—H17B | 107.8 |
O21—Cr4—O20 | 90.13 (12) | C17—C18—H18A | 109.5 |
O32—Cr4—O19 | 177.14 (10) | C17—C18—H18B | 109.5 |
O18—Cr4—O19 | 83.34 (11) | H18A—C18—H18B | 109.5 |
O17—Cr4—O19 | 85.56 (12) | C17—C18—H18C | 109.5 |
O21—Cr4—O19 | 86.28 (10) | H18A—C18—H18C | 109.5 |
O20—Cr4—O19 | 85.76 (11) | H18B—C18—H18C | 109.5 |
O32—Cr5—O24 | 95.85 (11) | C18'—C17'—C16 | 111.1 (8) |
O32—Cr5—O23 | 93.87 (11) | C18'—C17'—H17C | 109.4 |
O24—Cr5—O23 | 86.78 (14) | C16—C17'—H17C | 109.4 |
O32—Cr5—O22 | 96.31 (10) | C18'—C17'—H17D | 109.4 |
O24—Cr5—O22 | 167.79 (11) | C16—C17'—H17D | 109.4 |
O23—Cr5—O22 | 93.55 (12) | H17C—C17'—H17D | 108.0 |
O32—Cr5—O25 | 93.59 (11) | C17'—C18'—H18D | 109.5 |
O24—Cr5—O25 | 91.67 (14) | C17'—C18'—H18E | 109.5 |
O23—Cr5—O25 | 172.50 (11) | H18D—C18'—H18E | 109.5 |
O22—Cr5—O25 | 86.42 (12) | C17'—C18'—H18F | 109.5 |
O32—Cr5—O26 | 178.89 (10) | H18D—C18'—H18F | 109.5 |
O24—Cr5—O26 | 83.12 (11) | H18E—C18'—H18F | 109.5 |
O23—Cr5—O26 | 86.48 (11) | O21—C19—O22 | 124.7 (3) |
O22—Cr5—O26 | 84.71 (11) | O21—C19—C20 | 118.5 (6) |
O25—Cr5—O26 | 86.05 (11) | O22—C19—C20 | 116.4 (6) |
O32—Cr6—O29 | 94.75 (10) | O21—C19—C20' | 118.3 (7) |
O32—Cr6—O27 | 95.37 (11) | O22—C19—C20' | 116.8 (6) |
O29—Cr6—O27 | 169.84 (11) | C19—C20—C21 | 112.2 (9) |
O32—Cr6—O30 | 93.76 (11) | C19—C20—H20A | 109.2 |
O29—Cr6—O30 | 88.60 (14) | C21—C20—H20A | 109.2 |
O27—Cr6—O30 | 91.55 (14) | C19—C20—H20B | 109.2 |
O32—Cr6—O28 | 95.65 (11) | C21—C20—H20B | 109.2 |
O29—Cr6—O28 | 89.00 (14) | H20A—C20—H20B | 107.9 |
O27—Cr6—O28 | 89.19 (14) | C20—C21—H21A | 109.5 |
O30—Cr6—O28 | 170.45 (12) | C20—C21—H21B | 109.5 |
O32—Cr6—O31 | 178.72 (12) | H21A—C21—H21B | 109.5 |
O29—Cr6—O31 | 84.64 (11) | C20—C21—H21C | 109.5 |
O27—Cr6—O31 | 85.26 (11) | H21A—C21—H21C | 109.5 |
O30—Cr6—O31 | 85.10 (12) | H21B—C21—H21C | 109.5 |
O28—Cr6—O31 | 85.48 (13) | C19—C20'—C21' | 111.1 (9) |
Cr1—O1—Cr3 | 120.42 (11) | C19—C20'—H20C | 109.4 |
Cr1—O1—Cr2 | 119.02 (11) | C21'—C20'—H20C | 109.4 |
Cr3—O1—Cr2 | 120.54 (11) | C19—C20'—H20D | 109.4 |
C4—O2—Cr1 | 135.7 (2) | C21'—C20'—H20D | 109.4 |
C1—O3—Cr1 | 131.1 (2) | H20C—C20'—H20D | 108.0 |
Cr1—O4—H4H | 121.4 | C20'—C21'—H21D | 109.5 |
Cr1—O4—H4G | 125.1 | C20'—C21'—H21E | 109.5 |
H4H—O4—H4G | 104.9 | H21D—C21'—H21E | 109.5 |
C7—O5—Cr1 | 130.8 (2) | C20'—C21'—H21F | 109.5 |
C10—O6—Cr1 | 135.2 (2) | H21D—C21'—H21F | 109.5 |
C1—O7—Cr2 | 134.4 (2) | H21E—C21'—H21F | 109.5 |
C4—O8—Cr2 | 128.4 (2) | O30—C22—O17 | 125.5 (3) |
Cr2—O9—H9G | 124.9 | O30—C22—C23 | 118.5 (7) |
Cr2—O9—H9H | 125.3 | O17—C22—C23 | 115.2 (7) |
H9G—O9—H9H | 105.4 | O30—C22—C23' | 114.8 (6) |
C13—O10—Cr2 | 134.9 (2) | O17—C22—C23' | 119.0 (7) |
C16—O11—Cr2 | 130.1 (2) | C24—C23—C22 | 111.0 (8) |
C13—O12—Cr3 | 130.2 (2) | C24—C23—H23A | 109.4 |
Cr3—O13—H13G | 122.1 | C22—C23—H23A | 109.4 |
Cr3—O13—H13H | 122.5 | C24—C23—H23B | 109.4 |
H13G—O13—H13H | 105.0 | C22—C23—H23B | 109.4 |
C16—O14—Cr3 | 133.2 (2) | H23A—C23—H23B | 108.0 |
C7—O15—Cr3 | 134.6 (2) | C23—C24—H24A | 109.5 |
C10—O16—Cr3 | 130.3 (2) | C23—C24—H24B | 109.5 |
C22—O17—Cr4 | 133.6 (3) | H24A—C24—H24B | 109.5 |
C25—O18—Cr4 | 133.4 (2) | C23—C24—H24C | 109.5 |
Cr4—O19—H19G | 118.2 | H24A—C24—H24C | 109.5 |
Cr4—O19—H19H | 119.1 | H24B—C24—H24C | 109.5 |
H19G—O19—H19H | 105.1 | C22—C23'—C24' | 110.4 (8) |
C28—O20—Cr4 | 132.8 (2) | C22—C23'—H23C | 109.6 |
C19—O21—Cr4 | 131.4 (2) | C24'—C23'—H23C | 109.6 |
C19—O22—Cr5 | 134.2 (2) | C22—C23'—H23D | 109.6 |
C28—O23—Cr5 | 131.1 (2) | C24'—C23'—H23D | 109.6 |
C31—O24—Cr5 | 134.8 (3) | H23C—C23'—H23D | 108.1 |
C34—O25—Cr5 | 129.6 (2) | C23'—C24'—H24D | 109.5 |
Cr5—O26—H26G | 119.0 | C23'—C24'—H24E | 109.5 |
Cr5—O26—H26H | 135.0 | H24D—C24'—H24E | 109.5 |
H26G—O26—H26H | 105.8 | C23'—C24'—H24F | 109.5 |
C25—O27—Cr6 | 132.8 (2) | H24D—C24'—H24F | 109.5 |
C31—O28—Cr6 | 129.5 (3) | H24E—C24'—H24F | 109.5 |
C34—O29—Cr6 | 135.0 (2) | O18—C25—O27 | 125.2 (3) |
C22—O30—Cr6 | 132.3 (3) | O18—C25—C26' | 113.7 (7) |
Cr6—O31—H31G | 119.3 | O27—C25—C26' | 120.8 (7) |
Cr6—O31—H31H | 117.6 | O18—C25—C26 | 118.1 (7) |
H31G—O31—H31H | 105.4 | O27—C25—C26 | 116.1 (7) |
Cr5—O32—Cr4 | 119.20 (11) | C25—C26—C27 | 111.5 (8) |
Cr5—O32—Cr6 | 119.94 (12) | C25—C26—H26A | 109.3 |
Cr4—O32—Cr6 | 120.85 (11) | C27—C26—H26A | 109.3 |
H39H—O39—H39G | 105.1 | C25—C26—H26B | 109.3 |
O33—N1—O34 | 116.9 (6) | C27—C26—H26B | 109.3 |
O33—N1—O35 | 117.4 (5) | H26A—C26—H26B | 108.0 |
O34—N1—O35 | 125.2 (6) | C26—C27—H27A | 109.5 |
O36—N2—O37 | 122.6 (6) | C26—C27—H27B | 109.5 |
O36—N2—O38 | 113.9 (6) | H27A—C27—H27B | 109.5 |
O37—N2—O38 | 122.8 (6) | C26—C27—H27C | 109.5 |
O7—C1—O3 | 124.6 (3) | H27A—C27—H27C | 109.5 |
O7—C1—C2 | 122.5 (6) | H27B—C27—H27C | 109.5 |
O3—C1—C2 | 112.4 (6) | C25—C26'—C27' | 113.4 (9) |
O7—C1—C2' | 115.3 (6) | C25—C26'—H26C | 108.9 |
O3—C1—C2' | 119.9 (7) | C27'—C26'—H26C | 108.9 |
C3—C2—C1 | 112.2 (8) | C25—C26'—H26D | 108.9 |
C3—C2—H2A | 109.2 | C27'—C26'—H26D | 108.9 |
C1—C2—H2A | 109.2 | H26C—C26'—H26D | 107.7 |
C3—C2—H2B | 109.2 | C26'—C27'—H27D | 109.5 |
C1—C2—H2B | 109.2 | C26'—C27'—H27E | 109.5 |
H2A—C2—H2B | 107.9 | H27D—C27'—H27E | 109.5 |
C2—C3—H3A | 109.5 | C26'—C27'—H27F | 109.5 |
C2—C3—H3B | 109.5 | H27D—C27'—H27F | 109.5 |
H3A—C3—H3B | 109.5 | H27E—C27'—H27F | 109.5 |
C2—C3—H3C | 109.5 | O23—C28—O20 | 125.0 (3) |
H3A—C3—H3C | 109.5 | O23—C28—C29' | 114.8 (6) |
H3B—C3—H3C | 109.5 | O20—C28—C29' | 119.9 (6) |
C3'—C2'—C1 | 111.3 (8) | O23—C28—C29 | 117.2 (6) |
C3'—C2'—H2'A | 109.4 | O20—C28—C29 | 116.8 (6) |
C1—C2'—H2'A | 109.4 | C30—C29—C28 | 111.8 (8) |
C3'—C2'—H2'B | 109.4 | C30—C29—H29A | 109.3 |
C1—C2'—H2'B | 109.4 | C28—C29—H29A | 109.3 |
H2'A—C2'—H2'B | 108.0 | C30—C29—H29B | 109.3 |
C2'—C3'—H3'A | 109.5 | C28—C29—H29B | 109.3 |
C2'—C3'—H3'B | 109.5 | H29A—C29—H29B | 107.9 |
H3'A—C3'—H3'B | 109.5 | C29—C30—H30A | 109.5 |
C2'—C3'—H3'C | 109.5 | C29—C30—H30B | 109.5 |
H3'A—C3'—H3'C | 109.5 | H30A—C30—H30B | 109.5 |
H3'B—C3'—H3'C | 109.5 | C29—C30—H30C | 109.5 |
O2—C4—O8 | 125.3 (3) | H30A—C30—H30C | 109.5 |
O2—C4—C5 | 118.7 (6) | H30B—C30—H30C | 109.5 |
O8—C4—C5 | 115.7 (6) | C30'—C29'—C28 | 111.5 (8) |
O2—C4—C5' | 115.4 (6) | C30'—C29'—H29C | 109.3 |
O8—C4—C5' | 118.8 (6) | C28—C29'—H29C | 109.3 |
C4—C5—C6 | 112.0 (8) | C30'—C29'—H29D | 109.3 |
C4—C5—H5A | 109.2 | C28—C29'—H29D | 109.3 |
C6—C5—H5A | 109.2 | H29C—C29'—H29D | 108.0 |
C4—C5—H5B | 109.2 | C29'—C30'—H30D | 109.5 |
C6—C5—H5B | 109.2 | C29'—C30'—H30E | 109.5 |
H5A—C5—H5B | 107.9 | H30D—C30'—H30E | 109.5 |
C5—C6—H6A | 109.5 | C29'—C30'—H30F | 109.5 |
C5—C6—H6B | 109.5 | H30D—C30'—H30F | 109.5 |
H6A—C6—H6B | 109.5 | H30E—C30'—H30F | 109.5 |
C5—C6—H6C | 109.5 | O28—C31—O24 | 125.2 (3) |
H6A—C6—H6C | 109.5 | O28—C31—C32 | 121.7 (6) |
H6B—C6—H6C | 109.5 | O24—C31—C32 | 112.1 (6) |
C4—C5'—C6' | 111.7 (8) | O28—C31—C32' | 112.9 (6) |
C4—C5'—H5'A | 109.3 | O24—C31—C32' | 121.0 (6) |
C6'—C5'—H5'A | 109.3 | C33—C32—C31 | 113.6 (8) |
C4—C5'—H5'B | 109.3 | C33—C32—H32A | 108.8 |
C6'—C5'—H5'B | 109.3 | C31—C32—H32A | 108.8 |
H5'A—C5'—H5'B | 108.0 | C33—C32—H32B | 108.8 |
C5'—C6'—H6'A | 109.5 | C31—C32—H32B | 108.8 |
C5'—C6'—H6'B | 109.5 | H32A—C32—H32B | 107.7 |
H6'A—C6'—H6'B | 109.5 | C32—C33—H33A | 109.5 |
C5'—C6'—H6'C | 109.5 | C32—C33—H33B | 109.5 |
H6'A—C6'—H6'C | 109.5 | H33A—C33—H33B | 109.5 |
H6'B—C6'—H6'C | 109.5 | C32—C33—H33C | 109.5 |
O15—C7—O5 | 124.3 (3) | H33A—C33—H33C | 109.5 |
O15—C7—C8' | 115.1 (6) | H33B—C33—H33C | 109.5 |
O5—C7—C8' | 120.4 (6) | C33'—C32'—C31 | 113.3 (8) |
O15—C7—C8 | 122.0 (5) | C33'—C32'—H32C | 108.9 |
O5—C7—C8 | 113.4 (5) | C31—C32'—H32C | 108.9 |
C7—C8—C9 | 109.3 (8) | C33'—C32'—H32D | 108.9 |
C7—C8—H8A | 109.8 | C31—C32'—H32D | 108.9 |
C9—C8—H8A | 109.8 | H32C—C32'—H32D | 107.7 |
C7—C8—H8B | 109.8 | C32'—C33'—H33D | 109.5 |
C9—C8—H8B | 109.8 | C32'—C33'—H33E | 109.5 |
H8A—C8—H8B | 108.3 | H33D—C33'—H33E | 109.5 |
C8—C9—H9A | 109.5 | C32'—C33'—H33F | 109.5 |
C8—C9—H9B | 109.5 | H33D—C33'—H33F | 109.5 |
H9A—C9—H9B | 109.5 | H33E—C33'—H33F | 109.5 |
C8—C9—H9C | 109.5 | O29—C34—O25 | 124.7 (3) |
H9A—C9—H9C | 109.5 | O29—C34—C35' | 120.1 (6) |
H9B—C9—H9C | 109.5 | O25—C34—C35' | 114.7 (6) |
C9'—C8'—C7 | 119.7 (16) | O29—C34—C35 | 115.7 (7) |
C9'—C8'—H8'A | 107.4 | O25—C34—C35 | 118.9 (7) |
C7—C8'—H8'A | 107.4 | C34—C35—C36 | 109.1 (8) |
C9'—C8'—H8'B | 107.4 | C34—C35—H35A | 109.9 |
C7—C8'—H8'B | 107.4 | C36—C35—H35A | 109.9 |
H8'A—C8'—H8'B | 106.9 | C34—C35—H35B | 109.9 |
C8'—C9'—H9'A | 109.5 | C36—C35—H35B | 109.9 |
C8'—C9'—H9'B | 109.5 | H35A—C35—H35B | 108.3 |
H9'A—C9'—H9'B | 109.5 | C35—C36—H36A | 109.5 |
C8'—C9'—H9'C | 109.5 | C35—C36—H36B | 109.5 |
H9'A—C9'—H9'C | 109.5 | H36A—C36—H36B | 109.5 |
H9'B—C9'—H9'C | 109.5 | C35—C36—H36C | 109.5 |
O6—C10—O16 | 125.4 (3) | H36A—C36—H36C | 109.5 |
O6—C10—C11 | 121.0 (9) | H36B—C36—H36C | 109.5 |
O16—C10—C11 | 113.5 (8) | C34—C35'—C36' | 110.7 (9) |
O6—C10—C11' | 112.9 (9) | C34—C35'—H35C | 109.5 |
O16—C10—C11' | 121.5 (9) | C36'—C35'—H35C | 109.5 |
C10—C11—C12 | 112.3 (9) | C34—C35'—H35D | 109.5 |
C10—C11—H11A | 109.1 | C36'—C35'—H35D | 109.5 |
C12—C11—H11A | 109.1 | H35C—C35'—H35D | 108.1 |
C10—C11—H11B | 109.1 | C35'—C36'—H36D | 109.5 |
C12—C11—H11B | 109.1 | C35'—C36'—H36E | 109.5 |
H11A—C11—H11B | 107.9 | H36D—C36'—H36E | 109.5 |
C11—C12—H12A | 109.5 | C35'—C36'—H36F | 109.5 |
C11—C12—H12B | 109.5 | H36D—C36'—H36F | 109.5 |
H12A—C12—H12B | 109.5 | H36E—C36'—H36F | 109.5 |
C11—C12—H12C | 109.5 | | |
| | | |
O6—Cr1—O1—Cr3 | −42.53 (14) | O28—Cr6—O32—Cr5 | −47.19 (16) |
O3—Cr1—O1—Cr3 | 136.78 (13) | O29—Cr6—O32—Cr4 | −137.89 (15) |
O2—Cr1—O1—Cr3 | −133.02 (14) | O27—Cr6—O32—Cr4 | 42.93 (16) |
O5—Cr1—O1—Cr3 | 51.08 (14) | O30—Cr6—O32—Cr4 | −48.99 (16) |
O6—Cr1—O1—Cr2 | 139.13 (13) | O28—Cr6—O32—Cr4 | 132.64 (15) |
O3—Cr1—O1—Cr2 | −41.56 (14) | Cr2—O7—C1—O3 | −5.0 (6) |
O2—Cr1—O1—Cr2 | 48.63 (14) | Cr2—O7—C1—C2 | −176.0 (7) |
O5—Cr1—O1—Cr2 | −127.26 (13) | Cr2—O7—C1—C2' | 169.3 (6) |
O12—Cr3—O1—Cr1 | 136.84 (13) | Cr1—O3—C1—O7 | −9.0 (5) |
O16—Cr3—O1—Cr1 | 47.75 (14) | Cr1—O3—C1—C2 | 162.7 (7) |
O15—Cr3—O1—Cr1 | −44.67 (14) | Cr1—O3—C1—C2' | 176.9 (7) |
O14—Cr3—O1—Cr1 | −131.08 (14) | O7—C1—C2—C3 | −7.8 (14) |
O12—Cr3—O1—Cr2 | −44.84 (14) | O3—C1—C2—C3 | −179.8 (9) |
O16—Cr3—O1—Cr2 | −133.93 (13) | C2'—C1—C2—C3 | 57 (4) |
O15—Cr3—O1—Cr2 | 133.65 (14) | O7—C1—C2'—C3' | 41.8 (12) |
O14—Cr3—O1—Cr2 | 47.24 (14) | O3—C1—C2'—C3' | −143.6 (9) |
O10—Cr2—O1—Cr1 | −144.49 (13) | C2—C1—C2'—C3' | −81 (5) |
O7—Cr2—O1—Cr1 | 34.16 (14) | Cr1—O2—C4—O8 | −1.3 (6) |
O11—Cr2—O1—Cr1 | 121.17 (13) | Cr1—O2—C4—C5 | 171.8 (8) |
O8—Cr2—O1—Cr1 | −56.01 (14) | Cr1—O2—C4—C5' | −173.1 (7) |
O10—Cr2—O1—Cr3 | 37.17 (14) | Cr2—O8—C4—O2 | −10.8 (5) |
O7—Cr2—O1—Cr3 | −144.19 (13) | Cr2—O8—C4—C5 | 175.8 (8) |
O11—Cr2—O1—Cr3 | −57.17 (14) | Cr2—O8—C4—C5' | 160.7 (8) |
O8—Cr2—O1—Cr3 | 125.64 (13) | O2—C4—C5—C6 | 26.0 (15) |
O1—Cr1—O2—C4 | −16.9 (4) | O8—C4—C5—C6 | −160.1 (9) |
O6—Cr1—O2—C4 | −111.6 (4) | C5'—C4—C5—C6 | −54 (4) |
O3—Cr1—O2—C4 | 81.4 (4) | O2—C4—C5'—C6' | −32.7 (14) |
O4—Cr1—O2—C4 | 165.2 (4) | O8—C4—C5'—C6' | 154.9 (8) |
O1—Cr1—O3—C1 | 31.0 (3) | C5—C4—C5'—C6' | 75 (5) |
O6—Cr1—O3—C1 | −152.0 (5) | Cr3—O15—C7—O5 | 17.1 (6) |
O2—Cr1—O3—C1 | −61.6 (3) | Cr3—O15—C7—C8' | −167.4 (13) |
O5—Cr1—O3—C1 | 124.4 (3) | Cr3—O15—C7—C8 | −156.1 (13) |
O4—Cr1—O3—C1 | −148.6 (3) | Cr1—O5—C7—O15 | −4.5 (6) |
O1—Cr1—O5—C7 | −26.8 (3) | Cr1—O5—C7—C8' | −179.8 (13) |
O6—Cr1—O5—C7 | 68.2 (3) | Cr1—O5—C7—C8 | 169.2 (12) |
O3—Cr1—O5—C7 | −124.7 (3) | O15—C7—C8—C9 | −23 (2) |
O4—Cr1—O5—C7 | 151.2 (3) | O5—C7—C8—C9 | 163.5 (13) |
O1—Cr1—O6—C10 | 14.7 (4) | C8'—C7—C8—C9 | 35 (6) |
O3—Cr1—O6—C10 | −162.3 (4) | O15—C7—C8'—C9' | 29 (2) |
O2—Cr1—O6—C10 | 107.4 (4) | O5—C7—C8'—C9' | −155.4 (12) |
O5—Cr1—O6—C10 | −79.6 (4) | C8—C7—C8'—C9' | −99 (9) |
O4—Cr1—O6—C10 | −165.7 (4) | Cr1—O6—C10—O16 | 3.3 (6) |
O1—Cr2—O7—C1 | −8.3 (3) | Cr1—O6—C10—C11 | 178.6 (11) |
O10—Cr2—O7—C1 | 166.4 (4) | Cr1—O6—C10—C11' | −171.7 (10) |
O11—Cr2—O7—C1 | −99.0 (3) | Cr3—O16—C10—O6 | 5.9 (6) |
O8—Cr2—O7—C1 | 85.1 (3) | Cr3—O16—C10—C11 | −169.8 (10) |
O9—Cr2—O7—C1 | 172.2 (3) | Cr3—O16—C10—C11' | −179.5 (10) |
O1—Cr2—O8—C4 | 36.3 (3) | O6—C10—C11—C12 | −11 (2) |
O10—Cr2—O8—C4 | 132.5 (3) | O16—C10—C11—C12 | 165.2 (14) |
O7—Cr2—O8—C4 | −62.2 (3) | C11'—C10—C11—C12 | −60 (8) |
O9—Cr2—O8—C4 | −144.4 (3) | O6—C10—C11'—C12' | −43.1 (19) |
O1—Cr2—O10—C13 | −8.3 (4) | O16—C10—C11'—C12' | 141.7 (14) |
O7—Cr2—O10—C13 | 177.0 (4) | C11—C10—C11'—C12' | 92 (9) |
O11—Cr2—O10—C13 | 83.3 (4) | Cr3—O12—C13—O10 | −7.4 (6) |
O8—Cr2—O10—C13 | −101.5 (4) | Cr3—O12—C13—C14' | −179.6 (6) |
O9—Cr2—O10—C13 | 171.2 (4) | Cr3—O12—C13—C14 | 163.1 (7) |
O1—Cr2—O11—C16 | 32.7 (3) | Cr2—O10—C13—O12 | −7.0 (6) |
O10—Cr2—O11—C16 | −63.8 (3) | Cr2—O10—C13—C14' | 164.8 (6) |
O7—Cr2—O11—C16 | 131.1 (3) | Cr2—O10—C13—C14 | −178.5 (7) |
O9—Cr2—O11—C16 | −146.7 (3) | O12—C13—C14—C15 | 2.4 (15) |
O1—Cr3—O12—C13 | 31.1 (3) | O10—C13—C14—C15 | 174.1 (10) |
O16—Cr3—O12—C13 | 126.4 (3) | C14'—C13—C14—C15 | −63 (3) |
O15—Cr3—O12—C13 | −140.8 (6) | O12—C13—C14'—C15' | −73.3 (12) |
O14—Cr3—O12—C13 | −61.9 (3) | O10—C13—C14'—C15' | 114.1 (11) |
O13—Cr3—O12—C13 | −148.1 (3) | C14—C13—C14'—C15' | 50 (3) |
O1—Cr3—O14—C16 | −2.2 (3) | Cr3—O14—C16—O11 | −23.2 (6) |
O12—Cr3—O14—C16 | 94.3 (3) | Cr3—O14—C16—C17 | 147.4 (6) |
O15—Cr3—O14—C16 | −96.2 (3) | Cr3—O14—C16—C17' | 166.0 (5) |
O13—Cr3—O14—C16 | 178.7 (3) | Cr2—O11—C16—O14 | 3.3 (6) |
O1—Cr3—O15—C7 | 7.4 (4) | Cr2—O11—C16—C17 | −168.0 (5) |
O16—Cr3—O15—C7 | −88.2 (4) | Cr2—O11—C16—C17' | 173.6 (5) |
O14—Cr3—O15—C7 | 99.9 (4) | O14—C16—C17—C18 | 10.4 (12) |
O13—Cr3—O15—C7 | −173.4 (4) | O11—C16—C17—C18 | −177.9 (8) |
O1—Cr3—O16—C10 | −29.2 (3) | C17'—C16—C17—C18 | −61 (3) |
O12—Cr3—O16—C10 | −125.5 (3) | O14—C16—C17'—C18' | −52.4 (10) |
O15—Cr3—O16—C10 | 65.2 (3) | O11—C16—C17'—C18' | 136.4 (8) |
O13—Cr3—O16—C10 | 149.9 (3) | C17—C16—C17'—C18' | 65 (3) |
O32—Cr4—O17—C22 | −14.9 (4) | Cr4—O21—C19—O22 | −2.9 (6) |
O18—Cr4—O17—C22 | 79.2 (4) | Cr4—O21—C19—C20 | −175.8 (10) |
O21—Cr4—O17—C22 | −111.2 (4) | Cr4—O21—C19—C20' | 171.8 (10) |
O19—Cr4—O17—C22 | 162.3 (4) | Cr5—O22—C19—O21 | −7.0 (6) |
O32—Cr4—O18—C25 | 28.0 (4) | Cr5—O22—C19—C20 | 166.1 (10) |
O17—Cr4—O18—C25 | −66.1 (4) | Cr5—O22—C19—C20' | 178.3 (10) |
O21—Cr4—O18—C25 | −158.8 (6) | O21—C19—C20—C21 | −22.7 (17) |
O20—Cr4—O18—C25 | 122.8 (4) | O22—C19—C20—C21 | 163.8 (9) |
O19—Cr4—O18—C25 | −151.2 (4) | C20'—C19—C20—C21 | 69 (6) |
O32—Cr4—O20—C28 | −6.8 (4) | O21—C19—C20'—C21' | 26.2 (17) |
O18—Cr4—O20—C28 | −100.6 (4) | O22—C19—C20'—C21' | −158.7 (9) |
O21—Cr4—O20—C28 | 89.7 (4) | C20—C19—C20'—C21' | −68 (6) |
O19—Cr4—O20—C28 | 175.9 (4) | Cr6—O30—C22—O17 | 3.4 (7) |
O32—Cr4—O21—C19 | 28.0 (4) | Cr6—O30—C22—C23 | 172.8 (6) |
O18—Cr4—O21—C19 | −145.2 (6) | Cr6—O30—C22—C23' | −167.4 (6) |
O17—Cr4—O21—C19 | 121.6 (4) | Cr4—O17—C22—O30 | −9.1 (7) |
O20—Cr4—O21—C19 | −66.9 (4) | Cr4—O17—C22—C23 | −178.8 (6) |
O19—Cr4—O21—C19 | −152.6 (4) | Cr4—O17—C22—C23' | 161.3 (6) |
O32—Cr5—O22—C19 | −12.4 (4) | O30—C22—C23—C24 | 134.3 (11) |
O24—Cr5—O22—C19 | 173.1 (6) | O17—C22—C23—C24 | −55.2 (14) |
O23—Cr5—O22—C19 | 81.9 (4) | C23'—C22—C23—C24 | 51 (3) |
O25—Cr5—O22—C19 | −105.6 (4) | O30—C22—C23'—C24' | −159.0 (10) |
O26—Cr5—O22—C19 | 168.0 (4) | O17—C22—C23'—C24' | 29.6 (14) |
O32—Cr5—O23—C28 | 33.2 (4) | C23—C22—C23'—C24' | −53 (3) |
O24—Cr5—O23—C28 | 128.8 (4) | Cr4—O18—C25—O27 | −2.7 (6) |
O22—Cr5—O23—C28 | −63.4 (4) | Cr4—O18—C25—C26' | −176.2 (8) |
O26—Cr5—O23—C28 | −147.9 (4) | Cr4—O18—C25—C26 | 167.4 (8) |
O32—Cr5—O24—C31 | −16.3 (5) | Cr6—O27—C25—O18 | −7.1 (7) |
O23—Cr5—O24—C31 | −109.8 (5) | Cr6—O27—C25—C26' | 166.0 (8) |
O22—Cr5—O24—C31 | 158.3 (6) | Cr6—O27—C25—C26 | −177.4 (8) |
O25—Cr5—O24—C31 | 77.5 (5) | O18—C25—C26—C27 | 153.3 (11) |
O26—Cr5—O24—C31 | 163.3 (5) | O27—C25—C26—C27 | −35.7 (15) |
O32—Cr5—O25—C34 | 39.3 (4) | C26'—C25—C26—C27 | 76 (5) |
O24—Cr5—O25—C34 | −56.7 (4) | O18—C25—C26'—C27' | −174.2 (11) |
O22—Cr5—O25—C34 | 135.4 (4) | O27—C25—C26'—C27' | 12.0 (17) |
O26—Cr5—O25—C34 | −139.7 (4) | C26—C25—C26'—C27' | −64 (5) |
O32—Cr6—O27—C25 | −12.7 (4) | Cr5—O23—C28—O20 | −1.9 (6) |
O29—Cr6—O27—C25 | 172.0 (7) | Cr5—O23—C28—C29' | 170.7 (6) |
O30—Cr6—O27—C25 | 81.3 (4) | Cr5—O23—C28—C29 | −170.4 (6) |
O28—Cr6—O27—C25 | −108.3 (4) | Cr4—O20—C28—O23 | −14.8 (6) |
O31—Cr6—O27—C25 | 166.2 (4) | Cr4—O20—C28—C29' | 173.0 (6) |
O32—Cr6—O28—C31 | 37.7 (4) | Cr4—O20—C28—C29 | 153.8 (6) |
O29—Cr6—O28—C31 | −57.0 (4) | O23—C28—C29—C30 | −147.6 (8) |
O27—Cr6—O28—C31 | 133.0 (4) | O20—C28—C29—C30 | 42.9 (12) |
O31—Cr6—O28—C31 | −141.7 (4) | C29'—C28—C29—C30 | −62 (3) |
O32—Cr6—O29—C34 | −8.9 (4) | O23—C28—C29'—C30' | 160.7 (9) |
O27—Cr6—O29—C34 | 166.5 (7) | O20—C28—C29'—C30' | −26.3 (13) |
O30—Cr6—O29—C34 | −102.5 (4) | C29—C28—C29'—C30' | 58 (3) |
O28—Cr6—O29—C34 | 86.7 (4) | Cr6—O28—C31—O24 | −19.8 (8) |
O31—Cr6—O29—C34 | 172.3 (4) | Cr6—O28—C31—C32 | 172.6 (5) |
O32—Cr6—O30—C22 | 23.6 (4) | Cr6—O28—C31—C32' | 149.3 (5) |
O29—Cr6—O30—C22 | 118.3 (4) | Cr5—O24—C31—O28 | 6.6 (8) |
O27—Cr6—O30—C22 | −71.9 (4) | Cr5—O24—C31—C32 | 175.3 (5) |
O31—Cr6—O30—C22 | −157.0 (4) | Cr5—O24—C31—C32' | −161.6 (6) |
O24—Cr5—O32—Cr4 | −140.06 (16) | O28—C31—C32—C33 | −139.4 (9) |
O23—Cr5—O32—Cr4 | −52.91 (15) | O24—C31—C32—C33 | 51.4 (11) |
O22—Cr5—O32—Cr4 | 41.11 (15) | C32'—C31—C32—C33 | −67 (2) |
O25—Cr5—O32—Cr4 | 127.90 (15) | O28—C31—C32'—C33' | −130.8 (9) |
O24—Cr5—O32—Cr6 | 39.78 (17) | O24—C31—C32'—C33' | 38.8 (13) |
O23—Cr5—O32—Cr6 | 126.93 (15) | C32—C31—C32'—C33' | 111 (3) |
O22—Cr5—O32—Cr6 | −139.06 (14) | Cr6—O29—C34—O25 | −5.5 (7) |
O25—Cr5—O32—Cr6 | −52.27 (15) | Cr6—O29—C34—C35' | −178.1 (9) |
O18—Cr4—O32—Cr5 | 132.30 (15) | Cr6—O29—C34—C35 | 165.4 (8) |
O17—Cr4—O32—Cr5 | −134.12 (15) | Cr5—O25—C34—O29 | −13.7 (7) |
O21—Cr4—O32—Cr5 | −46.46 (15) | Cr5—O25—C34—C35' | 159.3 (9) |
O20—Cr4—O32—Cr5 | 44.23 (15) | Cr5—O25—C34—C35 | 175.7 (8) |
O18—Cr4—O32—Cr6 | −47.53 (16) | O29—C34—C35—C36 | 56.0 (15) |
O17—Cr4—O32—Cr6 | 46.05 (16) | O25—C34—C35—C36 | −132.5 (11) |
O21—Cr4—O32—Cr6 | 133.70 (14) | C35'—C34—C35—C36 | −55 (4) |
O20—Cr4—O32—Cr6 | −135.61 (15) | O29—C34—C35'—C36' | −14.5 (17) |
O29—Cr6—O32—Cr5 | 42.27 (16) | O25—C34—C35'—C36' | 172.2 (11) |
O27—Cr6—O32—Cr5 | −136.91 (15) | C35—C34—C35'—C36' | 63 (4) |
O30—Cr6—O32—Cr5 | 131.18 (15) | | |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O4—H4H···O11i | 0.82 | 1.97 | 2.785 (3) | 173 |
O4—H4G···O35 | 0.82 | 1.91 | 2.728 (4) | 173 |
O9—H9H···O5ii | 0.82 | 2.08 | 2.892 (3) | 174 |
O9—H9G···O34iii | 0.82 | 2.08 | 2.879 (6) | 167 |
O13—H13G···O39iv | 0.82 | 1.84 | 2.655 (4) | 172 |
O19—H19H···O37v | 0.82 | 1.90 | 2.699 (6) | 165 |
O26—H26G···O38 | 0.81 | 1.94 | 2.716 (7) | 160 |
O31—H31G···O34 | 0.82 | 1.94 | 2.750 (5) | 175 |
O31—H31H···O8v | 0.82 | 2.17 | 2.966 (3) | 164 |
O39—H39H···O25 | 0.82 | 2.26 | 2.931 (4) | 139 |
O39—H39G···O36 | 0.82 | 2.09 | 2.878 (7) | 160 |
Symmetry codes: (i) −x+1/2, y+1/2, −z+3/2; (ii) −x+1/2, y−1/2, −z+3/2; (iii) x, y−1, z; (iv) x−1/2, y−1/2, z; (v) x, y+1, z. |