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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

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680601556X/ng2020sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680601556X/ng2020Isup2.hkl
Contains datablock I

CCDC reference: 610855

Key indicators

  • Single-crystal X-ray study
  • T = 193 K
  • Mean [sigma](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

Computing details top

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-µ3-oxo-hexa-µ2-propionato-κ12O:O'-trichromium(II) nitrate hemihydrate top
Crystal data top
[Cr3(C3H5O2)6O(H2O)3]NO3·0.5H2OF(000) = 6080
Mr = 735.49Dx = 1.544 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
a = 31.836 (8) ÅCell parameters from 996 reflections
b = 12.844 (3) Åθ = 2.6–26.1°
c = 31.837 (7) ŵ = 1.09 mm1
β = 103.549 (7)°T = 193 K
V = 12656 (5) Å3Prism, green
Z = 160.40 × 0.20 × 0.13 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
12916 independent reflections
Radiation source: fine-focus sealed tube9325 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.043
φ and ω scansθmax = 26.4°, θmin = 1.3°
Absorption correction: multi-scan
(SADABS; Bruker, 2000)
h = 3939
Tmin = 0.74, Tmax = 1k = 1616
52397 measured reflectionsl = 3939
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.126H-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 parametersΔρmax = 0.70 e Å3
276 restraintsΔρmin = 0.59 e Å3
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
xyzUiso*/UeqOcc. (<1)
Cr10.249527 (16)0.14785 (4)0.685163 (16)0.02822 (12)
Cr20.261856 (16)0.10440 (4)0.690339 (17)0.02854 (12)
Cr30.179150 (17)0.00236 (4)0.620833 (17)0.03026 (13)
Cr40.457614 (17)0.89272 (4)0.550987 (18)0.03204 (13)
Cr50.445945 (17)0.64152 (4)0.540585 (18)0.03188 (13)
Cr60.399911 (18)0.76595 (4)0.60751 (2)0.03702 (14)
O10.23020 (7)0.01369 (16)0.66487 (7)0.0271 (5)
O20.30928 (8)0.11817 (19)0.68170 (9)0.0440 (6)
O30.26513 (9)0.11663 (19)0.74721 (8)0.0422 (6)
O40.27010 (8)0.29272 (18)0.70457 (7)0.0412 (6)
H4H0.27810.30750.73020.062*
H4G0.28440.33040.69240.062*
O50.19276 (8)0.19021 (18)0.69542 (8)0.0388 (6)
O60.23773 (9)0.21089 (19)0.62785 (8)0.0452 (6)
O70.28066 (8)0.05152 (19)0.74970 (8)0.0412 (6)
O80.31688 (7)0.05416 (19)0.67799 (8)0.0392 (6)
O90.29527 (8)0.23273 (17)0.71723 (7)0.0405 (6)
H9G0.29800.28600.70420.061*
H9H0.29930.25000.74260.061*
O100.25275 (9)0.1870 (2)0.63766 (8)0.0456 (6)
O110.21037 (7)0.16077 (19)0.70755 (8)0.0396 (6)
O120.20209 (8)0.1083 (2)0.58753 (8)0.0465 (6)
O130.12322 (8)0.0196 (2)0.57430 (8)0.0450 (6)
H13G0.09980.02800.58030.067*
H13H0.12190.05400.55240.067*
O140.15600 (8)0.1102 (2)0.65356 (8)0.0448 (6)
O150.14578 (8)0.0980 (2)0.64671 (8)0.0448 (6)
O160.19398 (8)0.1046 (2)0.58238 (8)0.0450 (6)
O170.47760 (9)0.9401 (2)0.61090 (9)0.0525 (7)
O180.40300 (9)0.9677 (2)0.54247 (10)0.0507 (7)
O190.47990 (8)1.03178 (18)0.53469 (9)0.0481 (7)
H19G0.50601.03870.53750.072*
H19H0.47201.08550.54440.072*
O200.44274 (9)0.8630 (2)0.48794 (8)0.0496 (7)
O210.51640 (8)0.84030 (19)0.55530 (9)0.0469 (6)
O220.50698 (8)0.67122 (19)0.54284 (9)0.0455 (6)
O230.42599 (10)0.6952 (2)0.48146 (8)0.0522 (7)
O240.38807 (9)0.5831 (2)0.53380 (12)0.0645 (9)
O250.46674 (9)0.5699 (2)0.59644 (9)0.0510 (7)
O260.45744 (9)0.50392 (18)0.51275 (8)0.0485 (7)
H26G0.45570.44970.52540.073*
H26H0.46580.48790.49130.073*
O270.36620 (9)0.8900 (2)0.58464 (10)0.0549 (7)
O280.35382 (9)0.6784 (2)0.57310 (11)0.0604 (8)
O290.42666 (10)0.6405 (2)0.63729 (9)0.0570 (8)
O300.44103 (10)0.8499 (2)0.64971 (9)0.0559 (7)
O310.36371 (9)0.76514 (19)0.65300 (11)0.0593 (8)
H31G0.34810.71540.65440.089*
H31H0.34900.81660.65460.089*
O320.43444 (7)0.76706 (17)0.56654 (7)0.0318 (5)
O330.3195 (2)0.5237 (4)0.7203 (2)0.147 (2)
O340.31138 (17)0.6008 (3)0.6625 (2)0.137 (2)
O350.31293 (16)0.4329 (3)0.66550 (14)0.0996 (14)
O360.4897 (2)0.2790 (5)0.5591 (2)0.155 (2)
O370.4442 (2)0.1858 (4)0.5723 (3)0.194 (4)
O380.4354 (2)0.3468 (4)0.5605 (2)0.159 (2)
O390.54383 (10)0.4578 (3)0.58594 (14)0.0863 (12)
H39H0.53220.49760.59980.129*
H39G0.53030.40310.58470.129*
N10.31604 (15)0.5193 (3)0.68205 (19)0.0750 (13)
N20.45770 (19)0.2684 (3)0.5659 (2)0.0910 (16)
C10.27884 (11)0.0347 (3)0.76714 (10)0.0354 (8)
C20.2993 (5)0.0543 (11)0.8147 (3)0.045 (3)0.50
H2A0.32350.10400.81720.054*0.50
H2B0.27760.08650.82840.054*0.50
C30.3159 (5)0.0449 (16)0.8387 (5)0.074 (4)0.50
H3A0.32820.02890.86920.111*0.50
H3B0.33830.07560.82590.111*0.50
H3C0.29200.09430.83630.111*0.50
C2'0.2906 (5)0.0340 (12)0.8164 (3)0.045 (3)0.50
H2'A0.29710.10590.82720.054*0.50
H2'B0.26570.00820.82710.054*0.50
C3'0.3297 (4)0.0350 (17)0.8339 (5)0.074 (4)0.50
H3'A0.33660.03380.86550.111*0.50
H3'B0.35450.00900.82360.111*0.50
H3'C0.32320.10650.82370.111*0.50
C40.33077 (10)0.0380 (3)0.67878 (11)0.0368 (8)
C50.3757 (3)0.0502 (12)0.6708 (6)0.052 (3)0.50
H5A0.37390.04470.63950.062*0.50
H5B0.39430.00700.68550.062*0.50
C60.3963 (4)0.1555 (11)0.6876 (5)0.087 (3)0.50
H6A0.42510.16060.68160.130*0.50
H6B0.39880.16040.71880.130*0.50
H6C0.37810.21240.67290.130*0.50
C5'0.3786 (3)0.0555 (11)0.6824 (6)0.052 (3)0.50
H5'A0.39000.00070.66680.062*0.50
H5'B0.39420.05240.71310.062*0.50
C6'0.3873 (4)0.1621 (11)0.6633 (4)0.087 (3)0.50
H6'A0.41840.17080.66620.130*0.50
H6'B0.37650.21790.67900.130*0.50
H6'C0.37230.16490.63270.130*0.50
C70.15480 (11)0.1601 (3)0.67773 (12)0.0380 (8)
C80.1206 (3)0.198 (2)0.7012 (6)0.059 (3)0.50
H8A0.12590.27220.70960.071*0.50
H8B0.12240.15690.72780.071*0.50
C90.0750 (3)0.1862 (13)0.6708 (5)0.092 (4)0.50
H9A0.05300.20660.68630.138*0.50
H9B0.07040.11350.66160.138*0.50
H9C0.07270.23100.64550.138*0.50
C8'0.1169 (4)0.205 (2)0.6913 (6)0.059 (3)0.50
H8'A0.12620.22110.72250.071*0.50
H8'B0.10980.27200.67600.071*0.50
C9'0.0772 (3)0.1455 (12)0.6850 (5)0.092 (4)0.50
H9'A0.05540.18650.69480.138*0.50
H9'B0.08260.08060.70150.138*0.50
H9'C0.06670.12940.65420.138*0.50
C100.21653 (12)0.1853 (3)0.59109 (11)0.0369 (8)
C110.2135 (7)0.2572 (15)0.5524 (5)0.047 (3)0.50
H11A0.18290.26320.53650.057*0.50
H11B0.22990.22630.53260.057*0.50
C120.2313 (10)0.3657 (11)0.5657 (11)0.062 (4)0.50
H12A0.22900.40890.53990.093*0.50
H12B0.26170.36040.58120.093*0.50
H12C0.21460.39760.58460.093*0.50
C11'0.2236 (7)0.2588 (14)0.5556 (5)0.047 (3)0.50
H11C0.25160.24220.54880.057*0.50
H11D0.20060.24720.52920.057*0.50
C12'0.2235 (10)0.3730 (10)0.5688 (11)0.062 (4)0.50
H12D0.22800.41690.54500.093*0.50
H12E0.24680.38520.59450.093*0.50
H12F0.19570.39010.57520.093*0.50
C130.22990 (12)0.1774 (3)0.59990 (12)0.0424 (9)
C140.2356 (5)0.2716 (9)0.5720 (4)0.056 (3)0.50
H14A0.26560.27360.56850.067*0.50
H14B0.23020.33650.58670.067*0.50
C150.2044 (5)0.2657 (11)0.5276 (3)0.107 (4)0.50
H15A0.20940.32500.51000.161*0.50
H15B0.20930.20070.51330.161*0.50
H15C0.17460.26750.53100.161*0.50
C14'0.2394 (5)0.2452 (9)0.5636 (4)0.056 (3)0.50
H14C0.24370.20030.53970.067*0.50
H14D0.26620.28550.57460.067*0.50
C15'0.2018 (5)0.3198 (10)0.5469 (4)0.107 (4)0.50
H15D0.20850.36430.52440.161*0.50
H15E0.17550.27960.53490.161*0.50
H15F0.19720.36310.57080.161*0.50
C160.17052 (11)0.1534 (3)0.68904 (12)0.0394 (8)
C170.1407 (3)0.1888 (10)0.7177 (3)0.045 (2)0.50
H17A0.14800.26130.72720.054*0.50
H17B0.14580.14430.74380.054*0.50
C180.0933 (3)0.1833 (12)0.6947 (5)0.077 (3)0.50
H18A0.07570.20790.71410.116*0.50
H18B0.08810.22720.66880.116*0.50
H18C0.08560.11110.68630.116*0.50
C17'0.1368 (3)0.2140 (9)0.7065 (4)0.045 (2)0.50
H17C0.12730.27570.68810.054*0.50
H17D0.14990.23870.73610.054*0.50
C18'0.0976 (3)0.1460 (11)0.7074 (5)0.077 (3)0.50
H18D0.07670.18620.71900.116*0.50
H18E0.08400.12320.67790.116*0.50
H18F0.10690.08490.72570.116*0.50
C190.53011 (10)0.7511 (3)0.55048 (12)0.0366 (8)
C200.5785 (3)0.7344 (12)0.5592 (7)0.051 (2)0.50
H20A0.58470.68290.53830.061*0.50
H20B0.58890.70540.58860.061*0.50
C210.6030 (3)0.8360 (13)0.5554 (4)0.067 (3)0.50
H21A0.63410.82180.56170.100*0.50
H21B0.59690.88710.57600.100*0.50
H21C0.59340.86360.52600.100*0.50
C20'0.5773 (3)0.7387 (13)0.5501 (7)0.051 (2)0.50
H20C0.58050.73960.51990.061*0.50
H20D0.58790.67060.56290.061*0.50
C21'0.6048 (3)0.8264 (13)0.5757 (4)0.067 (3)0.50
H21D0.63500.81780.57420.100*0.50
H21E0.60290.82350.60600.100*0.50
H21F0.59410.89390.56330.100*0.50
C220.46964 (12)0.9123 (3)0.64578 (12)0.0460 (9)
C230.4926 (4)0.9747 (11)0.6853 (4)0.061 (3)0.50
H23A0.48191.04730.68260.073*0.50
H23B0.48600.94420.71160.073*0.50
C240.5413 (3)0.9745 (13)0.6899 (5)0.120 (4)0.50
H24A0.55531.01520.71540.181*0.50
H24B0.54791.00560.66400.181*0.50
H24C0.55210.90280.69310.181*0.50
C23'0.5009 (4)0.9433 (9)0.6882 (4)0.061 (3)0.50
H23C0.52300.88810.69700.073*0.50
H23D0.48490.95050.71120.073*0.50
C24'0.5234 (5)1.0469 (11)0.6827 (5)0.120 (4)0.50
H24D0.54281.06650.71030.181*0.50
H24E0.50151.10120.67370.181*0.50
H24F0.54011.03880.66070.181*0.50
C250.37093 (11)0.9586 (3)0.55828 (12)0.0408 (8)
C260.3377 (4)1.0466 (11)0.5507 (5)0.054 (3)0.50
H26A0.33641.07860.52210.065*0.50
H26B0.34681.10090.57300.065*0.50
C270.2926 (3)1.0068 (19)0.5523 (8)0.074 (4)0.50
H27A0.27211.06500.54740.111*0.50
H27B0.29370.97590.58070.111*0.50
H27C0.28320.95410.52980.111*0.50
C26'0.3343 (5)1.0325 (13)0.5389 (5)0.054 (3)0.50
H26C0.32321.01500.50800.065*0.50
H26D0.34581.10440.54050.065*0.50
C27'0.2971 (4)1.0286 (19)0.5614 (8)0.074 (4)0.50
H27D0.27461.07790.54750.111*0.50
H27E0.30771.04740.59190.111*0.50
H27F0.28510.95810.55930.111*0.50
C280.42770 (12)0.7844 (3)0.46633 (11)0.0436 (9)
C290.4024 (4)0.8033 (11)0.4197 (3)0.056 (3)0.50
H29A0.39940.73670.40360.067*0.50
H29B0.37300.82830.41980.067*0.50
C300.4247 (4)0.8829 (11)0.3968 (4)0.091 (3)0.50
H30A0.40780.89230.36710.136*0.50
H30B0.45370.85800.39640.136*0.50
H30C0.42690.94940.41220.136*0.50
C29'0.4150 (5)0.7906 (10)0.4173 (3)0.056 (3)0.50
H29C0.43940.76610.40550.067*0.50
H29D0.39010.74410.40630.067*0.50
C30'0.4032 (5)0.9005 (10)0.4020 (4)0.091 (3)0.50
H30D0.39480.90160.37030.136*0.50
H30E0.42820.94630.41200.136*0.50
H30F0.37900.92480.41360.136*0.50
C310.35649 (12)0.6029 (3)0.54944 (17)0.0575 (12)
C320.3174 (3)0.5364 (8)0.5294 (4)0.061 (3)0.50
H32A0.29460.54850.54540.074*0.50
H32B0.30580.55900.49920.074*0.50
C330.3268 (5)0.4243 (7)0.5297 (5)0.095 (4)0.50
H33A0.30040.38620.51620.143*0.50
H33B0.33720.40060.55960.143*0.50
H33C0.34900.41140.51360.143*0.50
C32'0.3206 (3)0.5230 (8)0.5477 (4)0.061 (3)0.50
H32C0.30460.54100.56990.074*0.50
H32D0.30010.52700.51910.074*0.50
C33'0.3367 (5)0.4151 (7)0.5551 (5)0.095 (4)0.50
H33D0.31230.36760.55360.143*0.50
H33E0.35650.41000.58370.143*0.50
H33F0.35200.39600.53290.143*0.50
C340.45262 (13)0.5741 (3)0.63018 (13)0.0473 (9)
C350.4729 (5)0.5043 (12)0.6683 (5)0.064 (3)0.50
H35A0.49100.54650.69170.077*0.50
H35B0.49160.45150.65910.077*0.50
C360.4365 (5)0.4498 (12)0.6849 (5)0.122 (5)0.50
H36A0.44940.40480.70940.184*0.50
H36B0.41890.40760.66170.184*0.50
H36C0.41830.50240.69420.184*0.50
C35'0.4654 (6)0.4827 (11)0.6608 (4)0.064 (3)0.50
H35C0.49710.47230.66670.077*0.50
H35D0.45120.41860.64710.077*0.50
C36'0.4520 (6)0.5023 (12)0.7038 (4)0.122 (5)0.50
H36D0.46070.44270.72310.184*0.50
H36E0.42060.51130.69800.184*0.50
H36F0.46640.56540.71750.184*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cr10.0298 (3)0.0240 (3)0.0307 (3)0.0006 (2)0.0069 (2)0.0007 (2)
Cr20.0286 (3)0.0249 (3)0.0336 (3)0.0028 (2)0.0102 (2)0.0022 (2)
Cr30.0300 (3)0.0285 (3)0.0308 (3)0.0003 (2)0.0043 (2)0.0026 (2)
Cr40.0343 (3)0.0271 (3)0.0379 (3)0.0009 (2)0.0148 (2)0.0026 (2)
Cr50.0285 (3)0.0283 (3)0.0402 (3)0.0013 (2)0.0108 (2)0.0049 (2)
Cr60.0360 (3)0.0326 (3)0.0488 (4)0.0036 (2)0.0228 (3)0.0018 (3)
O10.0270 (11)0.0235 (11)0.0299 (11)0.0004 (9)0.0050 (9)0.0005 (9)
O20.0346 (13)0.0368 (14)0.0633 (17)0.0039 (11)0.0168 (12)0.0082 (12)
O30.0580 (16)0.0333 (13)0.0332 (13)0.0026 (12)0.0066 (12)0.0014 (10)
O40.0517 (15)0.0301 (13)0.0423 (14)0.0089 (11)0.0117 (12)0.0049 (11)
O50.0353 (13)0.0324 (13)0.0491 (15)0.0002 (10)0.0108 (11)0.0080 (11)
O60.0605 (17)0.0357 (14)0.0374 (14)0.0087 (12)0.0071 (12)0.0061 (11)
O70.0504 (15)0.0364 (14)0.0350 (13)0.0063 (11)0.0064 (11)0.0043 (11)
O80.0330 (13)0.0362 (13)0.0519 (15)0.0029 (11)0.0170 (11)0.0040 (11)
O90.0460 (15)0.0321 (13)0.0456 (14)0.0108 (11)0.0152 (12)0.0087 (11)
O100.0511 (16)0.0373 (14)0.0460 (16)0.0128 (12)0.0064 (13)0.0088 (12)
O110.0331 (13)0.0369 (13)0.0499 (15)0.0003 (10)0.0119 (11)0.0117 (11)
O120.0492 (16)0.0501 (16)0.0380 (14)0.0090 (13)0.0057 (12)0.0117 (12)
O130.0386 (14)0.0486 (15)0.0423 (15)0.0011 (12)0.0014 (11)0.0083 (12)
O140.0372 (14)0.0508 (16)0.0436 (15)0.0103 (12)0.0038 (11)0.0060 (12)
O150.0322 (13)0.0485 (15)0.0501 (15)0.0065 (11)0.0023 (11)0.0155 (13)
O160.0506 (16)0.0445 (15)0.0356 (14)0.0066 (13)0.0016 (12)0.0052 (11)
O170.0633 (18)0.0506 (16)0.0462 (16)0.0185 (14)0.0182 (14)0.0110 (13)
O180.0422 (15)0.0410 (15)0.074 (2)0.0086 (12)0.0244 (14)0.0125 (14)
O190.0566 (17)0.0330 (13)0.0635 (18)0.0065 (12)0.0318 (14)0.0029 (12)
O200.0674 (18)0.0434 (15)0.0391 (15)0.0066 (13)0.0148 (13)0.0031 (12)
O210.0361 (14)0.0348 (14)0.0738 (19)0.0026 (11)0.0212 (13)0.0039 (13)
O220.0329 (13)0.0378 (14)0.0683 (18)0.0027 (11)0.0167 (13)0.0138 (13)
O230.0689 (19)0.0431 (16)0.0403 (15)0.0004 (14)0.0042 (13)0.0067 (12)
O240.0371 (15)0.0439 (16)0.119 (3)0.0122 (12)0.0305 (17)0.0291 (17)
O250.0667 (18)0.0406 (15)0.0518 (17)0.0186 (13)0.0261 (14)0.0060 (12)
O260.0584 (17)0.0368 (14)0.0543 (17)0.0006 (12)0.0210 (14)0.0112 (12)
O270.0526 (17)0.0475 (16)0.074 (2)0.0195 (13)0.0345 (15)0.0144 (15)
O280.0393 (15)0.0599 (19)0.089 (2)0.0100 (14)0.0287 (15)0.0137 (17)
O290.0693 (19)0.0498 (16)0.0639 (19)0.0211 (15)0.0398 (16)0.0181 (14)
O300.0618 (18)0.0675 (19)0.0453 (16)0.0125 (16)0.0264 (14)0.0100 (14)
O310.0691 (19)0.0406 (15)0.087 (2)0.0045 (14)0.0572 (18)0.0047 (15)
O320.0306 (12)0.0288 (12)0.0389 (13)0.0010 (9)0.0140 (10)0.0010 (10)
O330.184 (6)0.121 (4)0.143 (5)0.017 (4)0.055 (5)0.058 (4)
O340.133 (4)0.062 (3)0.214 (6)0.018 (3)0.035 (4)0.045 (3)
O350.150 (4)0.054 (2)0.118 (3)0.026 (2)0.078 (3)0.017 (2)
O360.133 (5)0.144 (5)0.213 (7)0.041 (4)0.092 (5)0.029 (5)
O370.233 (7)0.048 (3)0.370 (10)0.010 (3)0.213 (7)0.004 (4)
O380.164 (5)0.071 (3)0.260 (8)0.023 (3)0.086 (5)0.007 (4)
O390.0453 (18)0.073 (2)0.144 (4)0.0083 (17)0.030 (2)0.024 (2)
N10.077 (3)0.042 (2)0.111 (4)0.011 (2)0.035 (3)0.001 (3)
N20.106 (4)0.032 (2)0.151 (5)0.002 (2)0.065 (4)0.007 (3)
C10.0333 (18)0.040 (2)0.0334 (18)0.0024 (15)0.0092 (15)0.0005 (15)
C20.052 (5)0.046 (5)0.035 (2)0.016 (4)0.003 (2)0.006 (2)
C30.072 (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)
C40.0349 (18)0.042 (2)0.0360 (19)0.0023 (16)0.0131 (15)0.0055 (15)
C50.040 (2)0.054 (3)0.068 (7)0.009 (2)0.025 (3)0.024 (4)
C60.058 (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)
C70.0355 (19)0.0340 (19)0.044 (2)0.0035 (15)0.0093 (16)0.0013 (16)
C80.038 (3)0.078 (4)0.061 (7)0.007 (3)0.013 (3)0.030 (5)
C90.064 (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)
C100.041 (2)0.0362 (19)0.0338 (19)0.0041 (16)0.0100 (16)0.0055 (15)
C110.044 (8)0.055 (3)0.041 (3)0.000 (4)0.007 (4)0.014 (2)
C120.059 (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)
C130.043 (2)0.037 (2)0.049 (2)0.0011 (17)0.0142 (18)0.0129 (17)
C140.067 (4)0.054 (6)0.047 (4)0.012 (4)0.015 (3)0.015 (4)
C150.117 (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)
C160.038 (2)0.0327 (18)0.049 (2)0.0030 (15)0.0135 (17)0.0006 (16)
C170.037 (3)0.052 (5)0.046 (5)0.018 (3)0.008 (3)0.000 (4)
C180.060 (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)
C190.0307 (18)0.038 (2)0.042 (2)0.0007 (15)0.0099 (15)0.0039 (15)
C200.031 (2)0.050 (3)0.072 (7)0.0007 (18)0.011 (2)0.010 (3)
C210.037 (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)
C220.044 (2)0.054 (2)0.040 (2)0.0026 (19)0.0100 (17)0.0090 (18)
C230.057 (5)0.073 (7)0.049 (3)0.005 (5)0.006 (3)0.018 (4)
C240.109 (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)
C250.039 (2)0.0365 (19)0.045 (2)0.0080 (16)0.0060 (17)0.0023 (17)
C260.050 (3)0.063 (4)0.051 (7)0.022 (3)0.013 (4)0.008 (5)
C270.060 (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)
C280.046 (2)0.046 (2)0.038 (2)0.0012 (18)0.0083 (17)0.0072 (17)
C290.070 (7)0.055 (4)0.042 (3)0.011 (4)0.011 (3)0.005 (2)
C300.104 (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)
C310.033 (2)0.046 (2)0.097 (4)0.0058 (18)0.020 (2)0.007 (2)
C320.045 (3)0.065 (4)0.076 (7)0.018 (3)0.018 (5)0.003 (5)
C330.081 (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)
C340.052 (2)0.038 (2)0.056 (2)0.0076 (18)0.021 (2)0.0087 (18)
C350.082 (5)0.056 (5)0.061 (5)0.019 (4)0.029 (4)0.018 (4)
C360.139 (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—O11.892 (2)C11—C121.526 (9)
Cr1—O61.951 (3)C11—H11A0.9900
Cr1—O31.962 (2)C11—H11B0.9900
Cr1—O21.968 (2)C12—H12A0.9800
Cr1—O51.986 (2)C12—H12B0.9800
Cr1—O42.021 (2)C12—H12C0.9800
Cr2—O11.895 (2)C11'—C12'1.525 (9)
Cr2—O101.948 (3)C11'—H11C0.9900
Cr2—O71.965 (3)C11'—H11D0.9900
Cr2—O111.983 (2)C12'—H12D0.9800
Cr2—O81.991 (2)C12'—H12E0.9800
Cr2—O92.038 (2)C12'—H12F0.9800
Cr3—O11.893 (2)C13—C14'1.532 (8)
Cr3—O121.967 (2)C13—C141.537 (8)
Cr3—O161.969 (3)C14—C151.525 (9)
Cr3—O151.970 (2)C14—H14A0.9900
Cr3—O141.977 (3)C14—H14B0.9900
Cr3—O132.044 (2)C15—H15A0.9800
Cr4—O321.888 (2)C15—H15B0.9800
Cr4—O181.950 (3)C15—H15C0.9800
Cr4—O171.961 (3)C14'—C15'1.529 (9)
Cr4—O211.963 (3)C14'—H14C0.9900
Cr4—O201.988 (3)C14'—H14D0.9900
Cr4—O192.033 (2)C15'—H15D0.9800
Cr5—O321.886 (2)C15'—H15E0.9800
Cr5—O241.954 (3)C15'—H15F0.9800
Cr5—O231.965 (3)C16—C171.532 (8)
Cr5—O221.965 (2)C16—C17'1.533 (8)
Cr5—O251.974 (3)C17—C181.516 (9)
Cr5—O262.048 (2)C17—H17A0.9900
Cr6—O321.893 (2)C17—H17B0.9900
Cr6—O291.960 (3)C18—H18A0.9800
Cr6—O271.964 (3)C18—H18B0.9800
Cr6—O301.964 (3)C18—H18C0.9800
Cr6—O281.966 (3)C17'—C18'1.529 (9)
Cr6—O312.051 (3)C17'—H17C0.9900
O2—C41.252 (4)C17'—H17D0.9900
O3—C11.253 (4)C18'—H18D0.9800
O4—H4H0.820C18'—H18E0.9800
O4—H4G0.820C18'—H18F0.9800
O5—C71.268 (4)C19—C201.514 (9)
O6—C101.250 (4)C19—C20'1.515 (9)
O7—C11.246 (4)C20—C211.539 (10)
O8—C41.262 (4)C20—H20A0.9900
O9—H9G0.816C20—H20B0.9900
O9—H9H0.819C21—H21A0.9800
O10—C131.257 (4)C21—H21B0.9800
O11—C161.271 (4)C21—H21C0.9800
O12—C131.251 (4)C20'—C21'1.539 (9)
O13—H13G0.819C20'—H20C0.9900
O13—H13H0.817C20'—H20D0.9900
O14—C161.246 (4)C21'—H21D0.9800
O15—C71.249 (4)C21'—H21E0.9800
O16—C101.255 (4)C21'—H21F0.9800
O17—C221.248 (5)C22—C231.527 (8)
O18—C251.245 (4)C22—C23'1.531 (9)
O19—H19G0.818C23—C241.522 (9)
O19—H19H0.820C23—H23A0.9900
O20—C281.251 (4)C23—H23B0.9900
O21—C191.248 (4)C24—H24A0.9800
O22—C191.253 (4)C24—H24B0.9800
O23—C281.249 (4)C24—H24C0.9800
O24—C311.248 (5)C23'—C24'1.539 (9)
O25—C341.259 (4)C23'—H23C0.9900
O26—H26G0.813C23'—H23D0.9900
O26—H26H0.816C24'—H24D0.9800
O27—C251.250 (5)C24'—H24E0.9800
O28—C311.243 (5)C24'—H24F0.9800
O29—C341.245 (4)C25—C26'1.517 (8)
O30—C221.241 (5)C25—C261.528 (8)
O31—H31G0.816C26—C271.534 (9)
O31—H31H0.818C26—H26A0.9900
O33—N11.197 (7)C26—H26B0.9900
O34—N11.209 (6)C27—H27A0.9800
O35—N11.222 (5)C27—H27B0.9800
O36—N21.098 (6)C27—H27C0.9800
O37—N21.181 (6)C26'—C27'1.523 (9)
O38—N21.221 (6)C26'—H26C0.9900
O39—H39H0.818C26'—H26D0.9900
O39—H39G0.820C27'—H27D0.9800
C1—C21.524 (8)C27'—H27E0.9800
C1—C2'1.524 (8)C27'—H27F0.9800
C2—C31.515 (9)C28—C29'1.520 (8)
C2—H2A0.9900C28—C291.533 (8)
C2—H2B0.9900C29—C301.524 (9)
C3—H3A0.9800C29—H29A0.9900
C3—H3B0.9800C29—H29B0.9900
C3—H3C0.9800C30—H30A0.9800
C2'—C3'1.522 (9)C30—H30B0.9800
C2'—H2'A0.9900C30—H30C0.9800
C2'—H2'B0.9900C29'—C30'1.512 (9)
C3'—H3'A0.9800C29'—H29C0.9900
C3'—H3'B0.9800C29'—H29D0.9900
C3'—H3'C0.9800C30'—H30D0.9800
C4—C51.517 (8)C30'—H30E0.9800
C4—C5'1.518 (8)C30'—H30F0.9800
C5—C61.542 (9)C31—C321.522 (8)
C5—H5A0.9900C31—C32'1.528 (8)
C5—H5B0.9900C32—C331.470 (9)
C6—H6A0.9800C32—H32A0.9900
C6—H6B0.9800C32—H32B0.9900
C6—H6C0.9800C33—H33A0.9800
C5'—C6'1.547 (9)C33—H33B0.9800
C5'—H5'A0.9900C33—H33C0.9800
C5'—H5'B0.9900C32'—C33'1.477 (9)
C6'—H6'A0.9800C32'—H32C0.9900
C6'—H6'B0.9800C32'—H32D0.9900
C6'—H6'C0.9800C33'—H33D0.9800
C7—C8'1.490 (13)C33'—H33E0.9800
C7—C81.538 (7)C33'—H33F0.9800
C8—C91.553 (10)C34—C35'1.520 (9)
C8—H8A0.9900C34—C351.525 (9)
C8—H8B0.9900C35—C361.550 (10)
C9—H9A0.9800C35—H35A0.9900
C9—H9B0.9800C35—H35B0.9900
C9—H9C0.9800C36—H36A0.9800
C8'—C9'1.45 (2)C36—H36B0.9800
C8'—H8'A0.9900C36—H36C0.9800
C8'—H8'B0.9900C35'—C36'1.545 (10)
C9'—H9'A0.9800C35'—H35C0.9900
C9'—H9'B0.9800C35'—H35D0.9900
C9'—H9'C0.9800C36'—H36D0.9800
C10—C111.524 (9)C36'—H36E0.9800
C10—C11'1.527 (9)C36'—H36F0.9800
O1—Cr1—O694.75 (10)H12A—C12—H12C109.5
O1—Cr1—O398.22 (10)H12B—C12—H12C109.5
O6—Cr1—O3167.01 (11)C12'—C11'—C10112.4 (9)
O1—Cr1—O292.62 (10)C12'—C11'—H11C109.1
O6—Cr1—O290.27 (12)C10—C11'—H11C109.1
O3—Cr1—O289.82 (11)C12'—C11'—H11D109.1
O1—Cr1—O594.02 (10)C10—C11'—H11D109.1
O6—Cr1—O593.26 (11)H11C—C11'—H11D107.9
O3—Cr1—O585.18 (11)C11'—C12'—H12D109.5
O2—Cr1—O5172.20 (11)C11'—C12'—H12E109.5
O1—Cr1—O4177.88 (9)H12D—C12'—H12E109.5
O6—Cr1—O483.18 (10)C11'—C12'—H12F109.5
O3—Cr1—O483.85 (10)H12D—C12'—H12F109.5
O2—Cr1—O486.97 (10)H12E—C12'—H12F109.5
O5—Cr1—O486.54 (10)O12—C13—O10125.4 (3)
O1—Cr2—O1096.37 (10)O12—C13—C14'114.6 (7)
O1—Cr2—O798.43 (10)O10—C13—C14'119.6 (7)
O10—Cr2—O7165.15 (11)O12—C13—C14123.2 (6)
O1—Cr2—O1191.11 (10)O10—C13—C14110.9 (6)
O10—Cr2—O1194.19 (11)C15—C14—C13111.0 (8)
O7—Cr2—O1186.89 (11)C15—C14—H14A109.4
O1—Cr2—O893.46 (10)C13—C14—H14A109.4
O10—Cr2—O888.10 (11)C15—C14—H14B109.4
O7—Cr2—O889.66 (11)C13—C14—H14B109.4
O11—Cr2—O8174.63 (10)H14A—C14—H14B108.0
O1—Cr2—O9179.21 (11)C14—C15—H15A109.5
O10—Cr2—O983.03 (10)C14—C15—H15B109.5
O7—Cr2—O982.19 (10)H15A—C15—H15B109.5
O11—Cr2—O988.42 (10)C14—C15—H15C109.5
O8—Cr2—O987.04 (10)H15A—C15—H15C109.5
O1—Cr3—O1296.42 (10)H15B—C15—H15C109.5
O1—Cr3—O1695.46 (10)C15'—C14'—C13110.0 (8)
O12—Cr3—O1688.49 (12)C15'—C14'—H14C109.7
O1—Cr3—O1594.16 (10)C13—C14'—H14C109.7
O12—Cr3—O15169.31 (11)C15'—C14'—H14D109.7
O16—Cr3—O1592.01 (12)C13—C14'—H14D109.7
O1—Cr3—O1492.72 (10)H14C—C14'—H14D108.2
O12—Cr3—O1491.76 (12)C14'—C15'—H15D109.5
O16—Cr3—O14171.74 (11)C14'—C15'—H15E109.5
O15—Cr3—O1486.23 (12)H15D—C15'—H15E109.5
O1—Cr3—O13178.72 (10)C14'—C15'—H15F109.5
O12—Cr3—O1384.55 (10)H15D—C15'—H15F109.5
O16—Cr3—O1385.40 (11)H15E—C15'—H15F109.5
O15—Cr3—O1384.85 (10)O14—C16—O11124.8 (3)
O14—Cr3—O1386.40 (11)O14—C16—C17121.5 (5)
O32—Cr4—O1893.90 (10)O11—C16—C17113.1 (5)
O32—Cr4—O1793.89 (11)O14—C16—C17'114.4 (6)
O18—Cr4—O1793.30 (13)O11—C16—C17'120.1 (6)
O32—Cr4—O2196.49 (10)C18—C17—C16112.6 (8)
O18—Cr4—O21169.53 (11)C18—C17—H17A109.1
O17—Cr4—O2187.23 (12)C16—C17—H17A109.1
O32—Cr4—O2094.88 (11)C18—C17—H17B109.1
O18—Cr4—O2087.75 (13)C16—C17—H17B109.1
O17—Cr4—O20171.08 (12)H17A—C17—H17B107.8
O21—Cr4—O2090.13 (12)C17—C18—H18A109.5
O32—Cr4—O19177.14 (10)C17—C18—H18B109.5
O18—Cr4—O1983.34 (11)H18A—C18—H18B109.5
O17—Cr4—O1985.56 (12)C17—C18—H18C109.5
O21—Cr4—O1986.28 (10)H18A—C18—H18C109.5
O20—Cr4—O1985.76 (11)H18B—C18—H18C109.5
O32—Cr5—O2495.85 (11)C18'—C17'—C16111.1 (8)
O32—Cr5—O2393.87 (11)C18'—C17'—H17C109.4
O24—Cr5—O2386.78 (14)C16—C17'—H17C109.4
O32—Cr5—O2296.31 (10)C18'—C17'—H17D109.4
O24—Cr5—O22167.79 (11)C16—C17'—H17D109.4
O23—Cr5—O2293.55 (12)H17C—C17'—H17D108.0
O32—Cr5—O2593.59 (11)C17'—C18'—H18D109.5
O24—Cr5—O2591.67 (14)C17'—C18'—H18E109.5
O23—Cr5—O25172.50 (11)H18D—C18'—H18E109.5
O22—Cr5—O2586.42 (12)C17'—C18'—H18F109.5
O32—Cr5—O26178.89 (10)H18D—C18'—H18F109.5
O24—Cr5—O2683.12 (11)H18E—C18'—H18F109.5
O23—Cr5—O2686.48 (11)O21—C19—O22124.7 (3)
O22—Cr5—O2684.71 (11)O21—C19—C20118.5 (6)
O25—Cr5—O2686.05 (11)O22—C19—C20116.4 (6)
O32—Cr6—O2994.75 (10)O21—C19—C20'118.3 (7)
O32—Cr6—O2795.37 (11)O22—C19—C20'116.8 (6)
O29—Cr6—O27169.84 (11)C19—C20—C21112.2 (9)
O32—Cr6—O3093.76 (11)C19—C20—H20A109.2
O29—Cr6—O3088.60 (14)C21—C20—H20A109.2
O27—Cr6—O3091.55 (14)C19—C20—H20B109.2
O32—Cr6—O2895.65 (11)C21—C20—H20B109.2
O29—Cr6—O2889.00 (14)H20A—C20—H20B107.9
O27—Cr6—O2889.19 (14)C20—C21—H21A109.5
O30—Cr6—O28170.45 (12)C20—C21—H21B109.5
O32—Cr6—O31178.72 (12)H21A—C21—H21B109.5
O29—Cr6—O3184.64 (11)C20—C21—H21C109.5
O27—Cr6—O3185.26 (11)H21A—C21—H21C109.5
O30—Cr6—O3185.10 (12)H21B—C21—H21C109.5
O28—Cr6—O3185.48 (13)C19—C20'—C21'111.1 (9)
Cr1—O1—Cr3120.42 (11)C19—C20'—H20C109.4
Cr1—O1—Cr2119.02 (11)C21'—C20'—H20C109.4
Cr3—O1—Cr2120.54 (11)C19—C20'—H20D109.4
C4—O2—Cr1135.7 (2)C21'—C20'—H20D109.4
C1—O3—Cr1131.1 (2)H20C—C20'—H20D108.0
Cr1—O4—H4H121.4C20'—C21'—H21D109.5
Cr1—O4—H4G125.1C20'—C21'—H21E109.5
H4H—O4—H4G104.9H21D—C21'—H21E109.5
C7—O5—Cr1130.8 (2)C20'—C21'—H21F109.5
C10—O6—Cr1135.2 (2)H21D—C21'—H21F109.5
C1—O7—Cr2134.4 (2)H21E—C21'—H21F109.5
C4—O8—Cr2128.4 (2)O30—C22—O17125.5 (3)
Cr2—O9—H9G124.9O30—C22—C23118.5 (7)
Cr2—O9—H9H125.3O17—C22—C23115.2 (7)
H9G—O9—H9H105.4O30—C22—C23'114.8 (6)
C13—O10—Cr2134.9 (2)O17—C22—C23'119.0 (7)
C16—O11—Cr2130.1 (2)C24—C23—C22111.0 (8)
C13—O12—Cr3130.2 (2)C24—C23—H23A109.4
Cr3—O13—H13G122.1C22—C23—H23A109.4
Cr3—O13—H13H122.5C24—C23—H23B109.4
H13G—O13—H13H105.0C22—C23—H23B109.4
C16—O14—Cr3133.2 (2)H23A—C23—H23B108.0
C7—O15—Cr3134.6 (2)C23—C24—H24A109.5
C10—O16—Cr3130.3 (2)C23—C24—H24B109.5
C22—O17—Cr4133.6 (3)H24A—C24—H24B109.5
C25—O18—Cr4133.4 (2)C23—C24—H24C109.5
Cr4—O19—H19G118.2H24A—C24—H24C109.5
Cr4—O19—H19H119.1H24B—C24—H24C109.5
H19G—O19—H19H105.1C22—C23'—C24'110.4 (8)
C28—O20—Cr4132.8 (2)C22—C23'—H23C109.6
C19—O21—Cr4131.4 (2)C24'—C23'—H23C109.6
C19—O22—Cr5134.2 (2)C22—C23'—H23D109.6
C28—O23—Cr5131.1 (2)C24'—C23'—H23D109.6
C31—O24—Cr5134.8 (3)H23C—C23'—H23D108.1
C34—O25—Cr5129.6 (2)C23'—C24'—H24D109.5
Cr5—O26—H26G119.0C23'—C24'—H24E109.5
Cr5—O26—H26H135.0H24D—C24'—H24E109.5
H26G—O26—H26H105.8C23'—C24'—H24F109.5
C25—O27—Cr6132.8 (2)H24D—C24'—H24F109.5
C31—O28—Cr6129.5 (3)H24E—C24'—H24F109.5
C34—O29—Cr6135.0 (2)O18—C25—O27125.2 (3)
C22—O30—Cr6132.3 (3)O18—C25—C26'113.7 (7)
Cr6—O31—H31G119.3O27—C25—C26'120.8 (7)
Cr6—O31—H31H117.6O18—C25—C26118.1 (7)
H31G—O31—H31H105.4O27—C25—C26116.1 (7)
Cr5—O32—Cr4119.20 (11)C25—C26—C27111.5 (8)
Cr5—O32—Cr6119.94 (12)C25—C26—H26A109.3
Cr4—O32—Cr6120.85 (11)C27—C26—H26A109.3
H39H—O39—H39G105.1C25—C26—H26B109.3
O33—N1—O34116.9 (6)C27—C26—H26B109.3
O33—N1—O35117.4 (5)H26A—C26—H26B108.0
O34—N1—O35125.2 (6)C26—C27—H27A109.5
O36—N2—O37122.6 (6)C26—C27—H27B109.5
O36—N2—O38113.9 (6)H27A—C27—H27B109.5
O37—N2—O38122.8 (6)C26—C27—H27C109.5
O7—C1—O3124.6 (3)H27A—C27—H27C109.5
O7—C1—C2122.5 (6)H27B—C27—H27C109.5
O3—C1—C2112.4 (6)C25—C26'—C27'113.4 (9)
O7—C1—C2'115.3 (6)C25—C26'—H26C108.9
O3—C1—C2'119.9 (7)C27'—C26'—H26C108.9
C3—C2—C1112.2 (8)C25—C26'—H26D108.9
C3—C2—H2A109.2C27'—C26'—H26D108.9
C1—C2—H2A109.2H26C—C26'—H26D107.7
C3—C2—H2B109.2C26'—C27'—H27D109.5
C1—C2—H2B109.2C26'—C27'—H27E109.5
H2A—C2—H2B107.9H27D—C27'—H27E109.5
C2—C3—H3A109.5C26'—C27'—H27F109.5
C2—C3—H3B109.5H27D—C27'—H27F109.5
H3A—C3—H3B109.5H27E—C27'—H27F109.5
C2—C3—H3C109.5O23—C28—O20125.0 (3)
H3A—C3—H3C109.5O23—C28—C29'114.8 (6)
H3B—C3—H3C109.5O20—C28—C29'119.9 (6)
C3'—C2'—C1111.3 (8)O23—C28—C29117.2 (6)
C3'—C2'—H2'A109.4O20—C28—C29116.8 (6)
C1—C2'—H2'A109.4C30—C29—C28111.8 (8)
C3'—C2'—H2'B109.4C30—C29—H29A109.3
C1—C2'—H2'B109.4C28—C29—H29A109.3
H2'A—C2'—H2'B108.0C30—C29—H29B109.3
C2'—C3'—H3'A109.5C28—C29—H29B109.3
C2'—C3'—H3'B109.5H29A—C29—H29B107.9
H3'A—C3'—H3'B109.5C29—C30—H30A109.5
C2'—C3'—H3'C109.5C29—C30—H30B109.5
H3'A—C3'—H3'C109.5H30A—C30—H30B109.5
H3'B—C3'—H3'C109.5C29—C30—H30C109.5
O2—C4—O8125.3 (3)H30A—C30—H30C109.5
O2—C4—C5118.7 (6)H30B—C30—H30C109.5
O8—C4—C5115.7 (6)C30'—C29'—C28111.5 (8)
O2—C4—C5'115.4 (6)C30'—C29'—H29C109.3
O8—C4—C5'118.8 (6)C28—C29'—H29C109.3
C4—C5—C6112.0 (8)C30'—C29'—H29D109.3
C4—C5—H5A109.2C28—C29'—H29D109.3
C6—C5—H5A109.2H29C—C29'—H29D108.0
C4—C5—H5B109.2C29'—C30'—H30D109.5
C6—C5—H5B109.2C29'—C30'—H30E109.5
H5A—C5—H5B107.9H30D—C30'—H30E109.5
C5—C6—H6A109.5C29'—C30'—H30F109.5
C5—C6—H6B109.5H30D—C30'—H30F109.5
H6A—C6—H6B109.5H30E—C30'—H30F109.5
C5—C6—H6C109.5O28—C31—O24125.2 (3)
H6A—C6—H6C109.5O28—C31—C32121.7 (6)
H6B—C6—H6C109.5O24—C31—C32112.1 (6)
C4—C5'—C6'111.7 (8)O28—C31—C32'112.9 (6)
C4—C5'—H5'A109.3O24—C31—C32'121.0 (6)
C6'—C5'—H5'A109.3C33—C32—C31113.6 (8)
C4—C5'—H5'B109.3C33—C32—H32A108.8
C6'—C5'—H5'B109.3C31—C32—H32A108.8
H5'A—C5'—H5'B108.0C33—C32—H32B108.8
C5'—C6'—H6'A109.5C31—C32—H32B108.8
C5'—C6'—H6'B109.5H32A—C32—H32B107.7
H6'A—C6'—H6'B109.5C32—C33—H33A109.5
C5'—C6'—H6'C109.5C32—C33—H33B109.5
H6'A—C6'—H6'C109.5H33A—C33—H33B109.5
H6'B—C6'—H6'C109.5C32—C33—H33C109.5
O15—C7—O5124.3 (3)H33A—C33—H33C109.5
O15—C7—C8'115.1 (6)H33B—C33—H33C109.5
O5—C7—C8'120.4 (6)C33'—C32'—C31113.3 (8)
O15—C7—C8122.0 (5)C33'—C32'—H32C108.9
O5—C7—C8113.4 (5)C31—C32'—H32C108.9
C7—C8—C9109.3 (8)C33'—C32'—H32D108.9
C7—C8—H8A109.8C31—C32'—H32D108.9
C9—C8—H8A109.8H32C—C32'—H32D107.7
C7—C8—H8B109.8C32'—C33'—H33D109.5
C9—C8—H8B109.8C32'—C33'—H33E109.5
H8A—C8—H8B108.3H33D—C33'—H33E109.5
C8—C9—H9A109.5C32'—C33'—H33F109.5
C8—C9—H9B109.5H33D—C33'—H33F109.5
H9A—C9—H9B109.5H33E—C33'—H33F109.5
C8—C9—H9C109.5O29—C34—O25124.7 (3)
H9A—C9—H9C109.5O29—C34—C35'120.1 (6)
H9B—C9—H9C109.5O25—C34—C35'114.7 (6)
C9'—C8'—C7119.7 (16)O29—C34—C35115.7 (7)
C9'—C8'—H8'A107.4O25—C34—C35118.9 (7)
C7—C8'—H8'A107.4C34—C35—C36109.1 (8)
C9'—C8'—H8'B107.4C34—C35—H35A109.9
C7—C8'—H8'B107.4C36—C35—H35A109.9
H8'A—C8'—H8'B106.9C34—C35—H35B109.9
C8'—C9'—H9'A109.5C36—C35—H35B109.9
C8'—C9'—H9'B109.5H35A—C35—H35B108.3
H9'A—C9'—H9'B109.5C35—C36—H36A109.5
C8'—C9'—H9'C109.5C35—C36—H36B109.5
H9'A—C9'—H9'C109.5H36A—C36—H36B109.5
H9'B—C9'—H9'C109.5C35—C36—H36C109.5
O6—C10—O16125.4 (3)H36A—C36—H36C109.5
O6—C10—C11121.0 (9)H36B—C36—H36C109.5
O16—C10—C11113.5 (8)C34—C35'—C36'110.7 (9)
O6—C10—C11'112.9 (9)C34—C35'—H35C109.5
O16—C10—C11'121.5 (9)C36'—C35'—H35C109.5
C10—C11—C12112.3 (9)C34—C35'—H35D109.5
C10—C11—H11A109.1C36'—C35'—H35D109.5
C12—C11—H11A109.1H35C—C35'—H35D108.1
C10—C11—H11B109.1C35'—C36'—H36D109.5
C12—C11—H11B109.1C35'—C36'—H36E109.5
H11A—C11—H11B107.9H36D—C36'—H36E109.5
C11—C12—H12A109.5C35'—C36'—H36F109.5
C11—C12—H12B109.5H36D—C36'—H36F109.5
H12A—C12—H12B109.5H36E—C36'—H36F109.5
C11—C12—H12C109.5
O6—Cr1—O1—Cr342.53 (14)O28—Cr6—O32—Cr547.19 (16)
O3—Cr1—O1—Cr3136.78 (13)O29—Cr6—O32—Cr4137.89 (15)
O2—Cr1—O1—Cr3133.02 (14)O27—Cr6—O32—Cr442.93 (16)
O5—Cr1—O1—Cr351.08 (14)O30—Cr6—O32—Cr448.99 (16)
O6—Cr1—O1—Cr2139.13 (13)O28—Cr6—O32—Cr4132.64 (15)
O3—Cr1—O1—Cr241.56 (14)Cr2—O7—C1—O35.0 (6)
O2—Cr1—O1—Cr248.63 (14)Cr2—O7—C1—C2176.0 (7)
O5—Cr1—O1—Cr2127.26 (13)Cr2—O7—C1—C2'169.3 (6)
O12—Cr3—O1—Cr1136.84 (13)Cr1—O3—C1—O79.0 (5)
O16—Cr3—O1—Cr147.75 (14)Cr1—O3—C1—C2162.7 (7)
O15—Cr3—O1—Cr144.67 (14)Cr1—O3—C1—C2'176.9 (7)
O14—Cr3—O1—Cr1131.08 (14)O7—C1—C2—C37.8 (14)
O12—Cr3—O1—Cr244.84 (14)O3—C1—C2—C3179.8 (9)
O16—Cr3—O1—Cr2133.93 (13)C2'—C1—C2—C357 (4)
O15—Cr3—O1—Cr2133.65 (14)O7—C1—C2'—C3'41.8 (12)
O14—Cr3—O1—Cr247.24 (14)O3—C1—C2'—C3'143.6 (9)
O10—Cr2—O1—Cr1144.49 (13)C2—C1—C2'—C3'81 (5)
O7—Cr2—O1—Cr134.16 (14)Cr1—O2—C4—O81.3 (6)
O11—Cr2—O1—Cr1121.17 (13)Cr1—O2—C4—C5171.8 (8)
O8—Cr2—O1—Cr156.01 (14)Cr1—O2—C4—C5'173.1 (7)
O10—Cr2—O1—Cr337.17 (14)Cr2—O8—C4—O210.8 (5)
O7—Cr2—O1—Cr3144.19 (13)Cr2—O8—C4—C5175.8 (8)
O11—Cr2—O1—Cr357.17 (14)Cr2—O8—C4—C5'160.7 (8)
O8—Cr2—O1—Cr3125.64 (13)O2—C4—C5—C626.0 (15)
O1—Cr1—O2—C416.9 (4)O8—C4—C5—C6160.1 (9)
O6—Cr1—O2—C4111.6 (4)C5'—C4—C5—C654 (4)
O3—Cr1—O2—C481.4 (4)O2—C4—C5'—C6'32.7 (14)
O4—Cr1—O2—C4165.2 (4)O8—C4—C5'—C6'154.9 (8)
O1—Cr1—O3—C131.0 (3)C5—C4—C5'—C6'75 (5)
O6—Cr1—O3—C1152.0 (5)Cr3—O15—C7—O517.1 (6)
O2—Cr1—O3—C161.6 (3)Cr3—O15—C7—C8'167.4 (13)
O5—Cr1—O3—C1124.4 (3)Cr3—O15—C7—C8156.1 (13)
O4—Cr1—O3—C1148.6 (3)Cr1—O5—C7—O154.5 (6)
O1—Cr1—O5—C726.8 (3)Cr1—O5—C7—C8'179.8 (13)
O6—Cr1—O5—C768.2 (3)Cr1—O5—C7—C8169.2 (12)
O3—Cr1—O5—C7124.7 (3)O15—C7—C8—C923 (2)
O4—Cr1—O5—C7151.2 (3)O5—C7—C8—C9163.5 (13)
O1—Cr1—O6—C1014.7 (4)C8'—C7—C8—C935 (6)
O3—Cr1—O6—C10162.3 (4)O15—C7—C8'—C9'29 (2)
O2—Cr1—O6—C10107.4 (4)O5—C7—C8'—C9'155.4 (12)
O5—Cr1—O6—C1079.6 (4)C8—C7—C8'—C9'99 (9)
O4—Cr1—O6—C10165.7 (4)Cr1—O6—C10—O163.3 (6)
O1—Cr2—O7—C18.3 (3)Cr1—O6—C10—C11178.6 (11)
O10—Cr2—O7—C1166.4 (4)Cr1—O6—C10—C11'171.7 (10)
O11—Cr2—O7—C199.0 (3)Cr3—O16—C10—O65.9 (6)
O8—Cr2—O7—C185.1 (3)Cr3—O16—C10—C11169.8 (10)
O9—Cr2—O7—C1172.2 (3)Cr3—O16—C10—C11'179.5 (10)
O1—Cr2—O8—C436.3 (3)O6—C10—C11—C1211 (2)
O10—Cr2—O8—C4132.5 (3)O16—C10—C11—C12165.2 (14)
O7—Cr2—O8—C462.2 (3)C11'—C10—C11—C1260 (8)
O9—Cr2—O8—C4144.4 (3)O6—C10—C11'—C12'43.1 (19)
O1—Cr2—O10—C138.3 (4)O16—C10—C11'—C12'141.7 (14)
O7—Cr2—O10—C13177.0 (4)C11—C10—C11'—C12'92 (9)
O11—Cr2—O10—C1383.3 (4)Cr3—O12—C13—O107.4 (6)
O8—Cr2—O10—C13101.5 (4)Cr3—O12—C13—C14'179.6 (6)
O9—Cr2—O10—C13171.2 (4)Cr3—O12—C13—C14163.1 (7)
O1—Cr2—O11—C1632.7 (3)Cr2—O10—C13—O127.0 (6)
O10—Cr2—O11—C1663.8 (3)Cr2—O10—C13—C14'164.8 (6)
O7—Cr2—O11—C16131.1 (3)Cr2—O10—C13—C14178.5 (7)
O9—Cr2—O11—C16146.7 (3)O12—C13—C14—C152.4 (15)
O1—Cr3—O12—C1331.1 (3)O10—C13—C14—C15174.1 (10)
O16—Cr3—O12—C13126.4 (3)C14'—C13—C14—C1563 (3)
O15—Cr3—O12—C13140.8 (6)O12—C13—C14'—C15'73.3 (12)
O14—Cr3—O12—C1361.9 (3)O10—C13—C14'—C15'114.1 (11)
O13—Cr3—O12—C13148.1 (3)C14—C13—C14'—C15'50 (3)
O1—Cr3—O14—C162.2 (3)Cr3—O14—C16—O1123.2 (6)
O12—Cr3—O14—C1694.3 (3)Cr3—O14—C16—C17147.4 (6)
O15—Cr3—O14—C1696.2 (3)Cr3—O14—C16—C17'166.0 (5)
O13—Cr3—O14—C16178.7 (3)Cr2—O11—C16—O143.3 (6)
O1—Cr3—O15—C77.4 (4)Cr2—O11—C16—C17168.0 (5)
O16—Cr3—O15—C788.2 (4)Cr2—O11—C16—C17'173.6 (5)
O14—Cr3—O15—C799.9 (4)O14—C16—C17—C1810.4 (12)
O13—Cr3—O15—C7173.4 (4)O11—C16—C17—C18177.9 (8)
O1—Cr3—O16—C1029.2 (3)C17'—C16—C17—C1861 (3)
O12—Cr3—O16—C10125.5 (3)O14—C16—C17'—C18'52.4 (10)
O15—Cr3—O16—C1065.2 (3)O11—C16—C17'—C18'136.4 (8)
O13—Cr3—O16—C10149.9 (3)C17—C16—C17'—C18'65 (3)
O32—Cr4—O17—C2214.9 (4)Cr4—O21—C19—O222.9 (6)
O18—Cr4—O17—C2279.2 (4)Cr4—O21—C19—C20175.8 (10)
O21—Cr4—O17—C22111.2 (4)Cr4—O21—C19—C20'171.8 (10)
O19—Cr4—O17—C22162.3 (4)Cr5—O22—C19—O217.0 (6)
O32—Cr4—O18—C2528.0 (4)Cr5—O22—C19—C20166.1 (10)
O17—Cr4—O18—C2566.1 (4)Cr5—O22—C19—C20'178.3 (10)
O21—Cr4—O18—C25158.8 (6)O21—C19—C20—C2122.7 (17)
O20—Cr4—O18—C25122.8 (4)O22—C19—C20—C21163.8 (9)
O19—Cr4—O18—C25151.2 (4)C20'—C19—C20—C2169 (6)
O32—Cr4—O20—C286.8 (4)O21—C19—C20'—C21'26.2 (17)
O18—Cr4—O20—C28100.6 (4)O22—C19—C20'—C21'158.7 (9)
O21—Cr4—O20—C2889.7 (4)C20—C19—C20'—C21'68 (6)
O19—Cr4—O20—C28175.9 (4)Cr6—O30—C22—O173.4 (7)
O32—Cr4—O21—C1928.0 (4)Cr6—O30—C22—C23172.8 (6)
O18—Cr4—O21—C19145.2 (6)Cr6—O30—C22—C23'167.4 (6)
O17—Cr4—O21—C19121.6 (4)Cr4—O17—C22—O309.1 (7)
O20—Cr4—O21—C1966.9 (4)Cr4—O17—C22—C23178.8 (6)
O19—Cr4—O21—C19152.6 (4)Cr4—O17—C22—C23'161.3 (6)
O32—Cr5—O22—C1912.4 (4)O30—C22—C23—C24134.3 (11)
O24—Cr5—O22—C19173.1 (6)O17—C22—C23—C2455.2 (14)
O23—Cr5—O22—C1981.9 (4)C23'—C22—C23—C2451 (3)
O25—Cr5—O22—C19105.6 (4)O30—C22—C23'—C24'159.0 (10)
O26—Cr5—O22—C19168.0 (4)O17—C22—C23'—C24'29.6 (14)
O32—Cr5—O23—C2833.2 (4)C23—C22—C23'—C24'53 (3)
O24—Cr5—O23—C28128.8 (4)Cr4—O18—C25—O272.7 (6)
O22—Cr5—O23—C2863.4 (4)Cr4—O18—C25—C26'176.2 (8)
O26—Cr5—O23—C28147.9 (4)Cr4—O18—C25—C26167.4 (8)
O32—Cr5—O24—C3116.3 (5)Cr6—O27—C25—O187.1 (7)
O23—Cr5—O24—C31109.8 (5)Cr6—O27—C25—C26'166.0 (8)
O22—Cr5—O24—C31158.3 (6)Cr6—O27—C25—C26177.4 (8)
O25—Cr5—O24—C3177.5 (5)O18—C25—C26—C27153.3 (11)
O26—Cr5—O24—C31163.3 (5)O27—C25—C26—C2735.7 (15)
O32—Cr5—O25—C3439.3 (4)C26'—C25—C26—C2776 (5)
O24—Cr5—O25—C3456.7 (4)O18—C25—C26'—C27'174.2 (11)
O22—Cr5—O25—C34135.4 (4)O27—C25—C26'—C27'12.0 (17)
O26—Cr5—O25—C34139.7 (4)C26—C25—C26'—C27'64 (5)
O32—Cr6—O27—C2512.7 (4)Cr5—O23—C28—O201.9 (6)
O29—Cr6—O27—C25172.0 (7)Cr5—O23—C28—C29'170.7 (6)
O30—Cr6—O27—C2581.3 (4)Cr5—O23—C28—C29170.4 (6)
O28—Cr6—O27—C25108.3 (4)Cr4—O20—C28—O2314.8 (6)
O31—Cr6—O27—C25166.2 (4)Cr4—O20—C28—C29'173.0 (6)
O32—Cr6—O28—C3137.7 (4)Cr4—O20—C28—C29153.8 (6)
O29—Cr6—O28—C3157.0 (4)O23—C28—C29—C30147.6 (8)
O27—Cr6—O28—C31133.0 (4)O20—C28—C29—C3042.9 (12)
O31—Cr6—O28—C31141.7 (4)C29'—C28—C29—C3062 (3)
O32—Cr6—O29—C348.9 (4)O23—C28—C29'—C30'160.7 (9)
O27—Cr6—O29—C34166.5 (7)O20—C28—C29'—C30'26.3 (13)
O30—Cr6—O29—C34102.5 (4)C29—C28—C29'—C30'58 (3)
O28—Cr6—O29—C3486.7 (4)Cr6—O28—C31—O2419.8 (8)
O31—Cr6—O29—C34172.3 (4)Cr6—O28—C31—C32172.6 (5)
O32—Cr6—O30—C2223.6 (4)Cr6—O28—C31—C32'149.3 (5)
O29—Cr6—O30—C22118.3 (4)Cr5—O24—C31—O286.6 (8)
O27—Cr6—O30—C2271.9 (4)Cr5—O24—C31—C32175.3 (5)
O31—Cr6—O30—C22157.0 (4)Cr5—O24—C31—C32'161.6 (6)
O24—Cr5—O32—Cr4140.06 (16)O28—C31—C32—C33139.4 (9)
O23—Cr5—O32—Cr452.91 (15)O24—C31—C32—C3351.4 (11)
O22—Cr5—O32—Cr441.11 (15)C32'—C31—C32—C3367 (2)
O25—Cr5—O32—Cr4127.90 (15)O28—C31—C32'—C33'130.8 (9)
O24—Cr5—O32—Cr639.78 (17)O24—C31—C32'—C33'38.8 (13)
O23—Cr5—O32—Cr6126.93 (15)C32—C31—C32'—C33'111 (3)
O22—Cr5—O32—Cr6139.06 (14)Cr6—O29—C34—O255.5 (7)
O25—Cr5—O32—Cr652.27 (15)Cr6—O29—C34—C35'178.1 (9)
O18—Cr4—O32—Cr5132.30 (15)Cr6—O29—C34—C35165.4 (8)
O17—Cr4—O32—Cr5134.12 (15)Cr5—O25—C34—O2913.7 (7)
O21—Cr4—O32—Cr546.46 (15)Cr5—O25—C34—C35'159.3 (9)
O20—Cr4—O32—Cr544.23 (15)Cr5—O25—C34—C35175.7 (8)
O18—Cr4—O32—Cr647.53 (16)O29—C34—C35—C3656.0 (15)
O17—Cr4—O32—Cr646.05 (16)O25—C34—C35—C36132.5 (11)
O21—Cr4—O32—Cr6133.70 (14)C35'—C34—C35—C3655 (4)
O20—Cr4—O32—Cr6135.61 (15)O29—C34—C35'—C36'14.5 (17)
O29—Cr6—O32—Cr542.27 (16)O25—C34—C35'—C36'172.2 (11)
O27—Cr6—O32—Cr5136.91 (15)C35—C34—C35'—C36'63 (4)
O30—Cr6—O32—Cr5131.18 (15)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O4—H4H···O11i0.821.972.785 (3)173
O4—H4G···O350.821.912.728 (4)173
O9—H9H···O5ii0.822.082.892 (3)174
O9—H9G···O34iii0.822.082.879 (6)167
O13—H13G···O39iv0.821.842.655 (4)172
O19—H19H···O37v0.821.902.699 (6)165
O26—H26G···O380.811.942.716 (7)160
O31—H31G···O340.821.942.750 (5)175
O31—H31H···O8v0.822.172.966 (3)164
O39—H39H···O250.822.262.931 (4)139
O39—H39G···O360.822.092.878 (7)160
Symmetry codes: (i) x+1/2, y+1/2, z+3/2; (ii) x+1/2, y1/2, z+3/2; (iii) x, y1, z; (iv) x1/2, y1/2, z; (v) x, y+1, z.
 

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