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metal-organic compounds
The structure of the title compound, [Mn6(C4H9O2)10O2(C4H10O2)4], has been redetermined at 100 K. The improved precision of the structure determination allowed the determination of the positions of the MnIII atoms in the Mn6O2 core. The MnIIIMnIII distance of 2.744 (3) Å is significantly shorter than the remaining MnIIMnIII distances [3.106 (3)–3.137 (3) Å].
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806019155/gk2005sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806019155/gk2005Isup2.hkl |
CCDC reference: 610772
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.009 Å
- R factor = 0.062
- wR factor = 0.164
- Data-to-parameter ratio = 16.1
checkCIF/PLATON results
No syntax errors found
Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.16 Ratio
Alert level B PLAT220_ALERT_2_B Large Non-Solvent O Ueq(max)/Ueq(min) ... 4.44 Ratio PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C2 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C62 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C67 PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of . 121.00 A 3
Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.112 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.11 PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT213_ALERT_2_C Atom C5 has ADP max/min Ratio ............. 3.10 prolat PLAT213_ALERT_2_C Atom C64 has ADP max/min Ratio ............. 3.60 prolat PLAT213_ALERT_2_C Atom C65 has ADP max/min Ratio ............. 3.70 prolat PLAT213_ALERT_2_C Atom C70 has ADP max/min Ratio ............. 3.40 prolat PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.42 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C17 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C37 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C47 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C52 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C57 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 3
1 ALERT level A = In general: serious problem 5 ALERT level B = Potentially serious problem 15 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 15 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: X-AREA (Stoe & Cie, 2002); cell refinement: X-AREA; data reduction: X-RED32 (Stoe & Cie, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
di-µ4-oxo-tetraµ3-pivalato-hexa-µ2-pivalato-tetrakis(pivalic
acid)dimanganese(III)tetramanganese(II) top
Crystal data top
[Mn6(C4H9O2)10O2(C4H10O2)4] | F(000) = 7520 |
Mr = 1781.39 | Dx = 1.279 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 25 reflections |
a = 26.4265 (5) Å | θ = 1.5–25.1° |
b = 24.8578 (5) Å | µ = 0.86 mm−1 |
c = 28.1714 (7) Å | T = 100 K |
V = 18505.9 (7) Å3 | Prism, red-brown |
Z = 8 | 0.58 × 0.51 × 0.44 mm |
Data collection top
Stoe IPDS2 diffractometer | 16156 independent reflections |
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus | 9653 reflections with I > 2σ(I) |
Plane graphite monochromator | Rint = 0.112 |
rotation method scans | θmax = 25.0°, θmin = 1.3° |
Absorption correction: integration (X-RED32; Stoe & Cie, 2002) | h = −31→31 |
Tmin = 0.612, Tmax = 0.684 | k = −29→29 |
16317 measured reflections | l = −33→33 |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.062 | H-atom parameters constrained |
wR(F2) = 0.164 | w = 1/[σ2(Fo2) + (0.1086P)2 + ] where P = (Fo2 + 2Fc2)/3 |
S = 0.95 | (Δ/σ)max = 0.001 |
16317 reflections | Δρmax = 0.98 e Å−3 |
1013 parameters | Δρmin = −0.49 e Å−3 |
0 restraints | Extinction correction: SHELXL97 (Sheldrick, 1997) |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: none |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Mn1 | 0.41586 (8) | 0.47767 (11) | 0.24886 (8) | 0.0226 (4) | |
Mn2 | 0.33021 (10) | 0.53976 (10) | 0.25426 (8) | 0.0238 (4) | |
Mn3 | 0.34948 (7) | 0.43713 (8) | 0.33327 (8) | 0.0283 (4) | |
Mn4 | 0.40208 (5) | 0.57740 (5) | 0.33489 (6) | 0.0274 (3) | |
Mn5 | 0.42051 (6) | 0.56480 (6) | 0.16904 (7) | 0.0314 (3) | |
Mn6 | 0.31871 (5) | 0.45983 (5) | 0.16877 (5) | 0.0305 (3) | |
O1 | 0.37178 (13) | 0.50990 (12) | 0.20669 (11) | 0.0209 (7) | |
O2 | 0.37463 (12) | 0.50779 (12) | 0.29614 (10) | 0.0189 (7) | |
O3 | 0.42433 (17) | 0.64965 (15) | 0.37539 (14) | 0.0434 (10) | |
O4 | 0.3597 (2) | 0.6618 (2) | 0.42664 (18) | 0.0649 (14) | |
H4 | 0.3465 | 0.6386 | 0.4101 | 0.097* | |
O5 | 0.47735 (14) | 0.58084 (14) | 0.30857 (13) | 0.0332 (9) | |
O6 | 0.46587 (13) | 0.54912 (13) | 0.23604 (13) | 0.0283 (8) | |
O7 | 0.37219 (13) | 0.61681 (13) | 0.26841 (12) | 0.0284 (8) | |
O8 | 0.39483 (15) | 0.63846 (13) | 0.19494 (13) | 0.0328 (9) | |
O9 | 0.47504 (16) | 0.61644 (15) | 0.13123 (14) | 0.0411 (10) | |
O10 | 0.5145 (2) | 0.56329 (17) | 0.08107 (17) | 0.0569 (12) | |
H10 | 0.5007 | 0.5397 | 0.0968 | 0.085* | |
O11 | 0.38182 (15) | 0.55436 (15) | 0.10273 (13) | 0.0351 (9) | |
O12 | 0.35638 (16) | 0.46965 (15) | 0.09971 (13) | 0.0377 (9) | |
O13 | 0.45368 (14) | 0.43841 (13) | 0.20026 (12) | 0.0305 (8) | |
O14 | 0.46844 (14) | 0.49744 (14) | 0.14174 (13) | 0.0324 (9) | |
O15 | 0.28845 (13) | 0.58292 (14) | 0.20884 (12) | 0.0290 (8) | |
O16 | 0.27460 (14) | 0.52744 (15) | 0.14844 (13) | 0.0349 (9) | |
O17 | 0.26256 (19) | 0.41075 (18) | 0.12941 (15) | 0.0548 (12) | |
O18 | 0.3059 (3) | 0.3875 (2) | 0.0671 (2) | 0.0844 (19) | |
H18 | 0.3296 | 0.4020 | 0.0809 | 0.127* | |
O19 | 0.34680 (15) | 0.38158 (14) | 0.19022 (13) | 0.0354 (9) | |
O20 | 0.37336 (14) | 0.40176 (13) | 0.26286 (12) | 0.0287 (8) | |
O21 | 0.28021 (14) | 0.46986 (14) | 0.23961 (13) | 0.0304 (8) | |
O22 | 0.27179 (14) | 0.43683 (15) | 0.31242 (13) | 0.0337 (9) | |
O23 | 0.32324 (16) | 0.36532 (14) | 0.37455 (14) | 0.0387 (10) | |
O24 | 0.2806 (2) | 0.4079 (2) | 0.4322 (2) | 0.0767 (17) | |
H24 | 0.2963 | 0.4340 | 0.4223 | 0.115* | |
O25 | 0.42463 (14) | 0.41574 (14) | 0.35422 (12) | 0.0307 (8) | |
O26 | 0.46810 (13) | 0.45156 (13) | 0.29389 (12) | 0.0275 (8) | |
O27 | 0.28046 (13) | 0.56281 (13) | 0.30166 (12) | 0.0262 (8) | |
O28 | 0.32541 (14) | 0.59792 (14) | 0.36092 (13) | 0.0311 (8) | |
O29 | 0.34284 (15) | 0.47982 (14) | 0.40120 (12) | 0.0327 (9) | |
O30 | 0.40902 (15) | 0.53324 (14) | 0.39941 (12) | 0.0328 (9) | |
C1 | 0.4050 (3) | 0.6722 (3) | 0.4108 (2) | 0.0507 (16) | |
C2 | 0.4350 (3) | 0.7139 (3) | 0.4394 (3) | 0.069 (2) | |
C3 | 0.4882 (4) | 0.7200 (4) | 0.4165 (4) | 0.108 (4) | |
H3A | 0.5060 | 0.6864 | 0.4185 | 0.162* | |
H3B | 0.5069 | 0.7473 | 0.4331 | 0.162* | |
H3C | 0.4846 | 0.7302 | 0.3838 | 0.162* | |
C4 | 0.4067 (4) | 0.7667 (3) | 0.4366 (4) | 0.103 (3) | |
H4A | 0.4056 | 0.7787 | 0.4043 | 0.154* | |
H4B | 0.4236 | 0.7930 | 0.4558 | 0.154* | |
H4C | 0.3728 | 0.7617 | 0.4481 | 0.154* | |
C5 | 0.4375 (6) | 0.6946 (5) | 0.4904 (3) | 0.146 (5) | |
H5A1 | 0.4551 | 0.6609 | 0.4918 | 0.219* | |
H5A2 | 0.4038 | 0.6900 | 0.5025 | 0.219* | |
H5A3 | 0.4551 | 0.7207 | 0.5093 | 0.219* | |
C6 | 0.4932 (2) | 0.5714 (2) | 0.2673 (2) | 0.0306 (12) | |
C7 | 0.5462 (2) | 0.5876 (2) | 0.2537 (2) | 0.0357 (13) | |
C8 | 0.5805 (3) | 0.5890 (3) | 0.2977 (2) | 0.0597 (19) | |
H8A | 0.6142 | 0.5991 | 0.2884 | 0.090* | |
H8B | 0.5812 | 0.5540 | 0.3122 | 0.090* | |
H8C | 0.5676 | 0.6148 | 0.3200 | 0.090* | |
C9 | 0.5670 (2) | 0.5509 (3) | 0.2157 (2) | 0.0501 (16) | |
H9A | 0.6007 | 0.5620 | 0.2076 | 0.075* | |
H9B | 0.5458 | 0.5528 | 0.1881 | 0.075* | |
H9C | 0.5677 | 0.5146 | 0.2273 | 0.075* | |
C10 | 0.4283 (3) | 0.7284 (2) | 0.2674 (3) | 0.0546 (19) | |
H10A | 0.4268 | 0.7658 | 0.2757 | 0.082* | |
H10B | 0.4537 | 0.7231 | 0.2435 | 0.082* | |
H10C | 0.4368 | 0.7077 | 0.2950 | 0.082* | |
C11 | 0.3819 (2) | 0.6508 (2) | 0.23590 (19) | 0.0287 (12) | |
C12 | 0.3769 (2) | 0.7102 (2) | 0.2484 (2) | 0.0327 (12) | |
C13 | 0.3657 (3) | 0.7427 (2) | 0.2026 (2) | 0.0493 (16) | |
H13A | 0.3623 | 0.7801 | 0.2104 | 0.074* | |
H13B | 0.3347 | 0.7300 | 0.1887 | 0.074* | |
H13C | 0.3929 | 0.7380 | 0.1805 | 0.074* | |
C14 | 0.3350 (3) | 0.7191 (3) | 0.2852 (3) | 0.0576 (19) | |
H14A | 0.3324 | 0.7567 | 0.2923 | 0.086* | |
H14B | 0.3429 | 0.6996 | 0.3136 | 0.086* | |
H14C | 0.3033 | 0.7065 | 0.2726 | 0.086* | |
C15 | 0.5429 (2) | 0.6458 (2) | 0.2340 (2) | 0.0482 (16) | |
H15A | 0.5760 | 0.6576 | 0.2245 | 0.072* | |
H15B | 0.5300 | 0.6693 | 0.2582 | 0.072* | |
H15C | 0.5206 | 0.6465 | 0.2071 | 0.072* | |
C16 | 0.5016 (3) | 0.6118 (3) | 0.0983 (2) | 0.0461 (15) | |
C17 | 0.5286 (2) | 0.6594 (2) | 0.0745 (2) | 0.0392 (13) | |
C18 | 0.5095 (3) | 0.7108 (3) | 0.0939 (3) | 0.061 (2) | |
H18A | 0.5266 | 0.7402 | 0.0787 | 0.092* | |
H18B | 0.5156 | 0.7121 | 0.1274 | 0.092* | |
H18C | 0.4738 | 0.7136 | 0.0880 | 0.092* | |
C19 | 0.5843 (3) | 0.6518 (3) | 0.0862 (3) | 0.067 (2) | |
H19A | 0.5958 | 0.6182 | 0.0732 | 0.101* | |
H19B | 0.5888 | 0.6516 | 0.1200 | 0.101* | |
H19C | 0.6035 | 0.6807 | 0.0726 | 0.101* | |
C20 | 0.5201 (3) | 0.6549 (3) | 0.0210 (2) | 0.0556 (17) | |
H20A | 0.5330 | 0.6210 | 0.0099 | 0.083* | |
H20B | 0.5374 | 0.6837 | 0.0052 | 0.083* | |
H20C | 0.4845 | 0.6570 | 0.0143 | 0.083* | |
C21 | 0.3672 (2) | 0.5142 (2) | 0.08066 (18) | 0.0308 (12) | |
C22 | 0.3604 (2) | 0.5200 (2) | 0.0264 (2) | 0.0393 (14) | |
C23 | 0.3777 (3) | 0.5752 (3) | 0.0098 (2) | 0.0496 (16) | |
H23A | 0.3582 | 0.6025 | 0.0255 | 0.074* | |
H23B | 0.3730 | 0.5782 | −0.0239 | 0.074* | |
H23C | 0.4129 | 0.5799 | 0.0172 | 0.074* | |
C24 | 0.3903 (3) | 0.4774 (3) | 0.0017 (2) | 0.065 (2) | |
H24A | 0.3784 | 0.4426 | 0.0114 | 0.097* | |
H24B | 0.4254 | 0.4811 | 0.0099 | 0.097* | |
H24C | 0.3864 | 0.4812 | −0.0320 | 0.097* | |
C25 | 0.3038 (3) | 0.5144 (3) | 0.0141 (2) | 0.0536 (16) | |
H25A | 0.2850 | 0.5421 | 0.0301 | 0.080* | |
H25B | 0.2919 | 0.4798 | 0.0243 | 0.080* | |
H25C | 0.2993 | 0.5179 | −0.0195 | 0.080* | |
C26 | 0.4725 (2) | 0.4508 (2) | 0.1601 (2) | 0.0339 (13) | |
C27 | 0.5001 (2) | 0.4068 (2) | 0.1335 (2) | 0.0401 (14) | |
C28 | 0.4579 (3) | 0.3768 (3) | 0.1047 (2) | 0.0574 (18) | |
H28A | 0.4334 | 0.3621 | 0.1263 | 0.086* | |
H28B | 0.4728 | 0.3483 | 0.0866 | 0.086* | |
H28C | 0.4415 | 0.4017 | 0.0837 | 0.086* | |
C29 | 0.5246 (2) | 0.3673 (2) | 0.1687 (2) | 0.0430 (14) | |
H29A | 0.4992 | 0.3536 | 0.1899 | 0.064* | |
H29B | 0.5502 | 0.3855 | 0.1866 | 0.064* | |
H29C | 0.5396 | 0.3380 | 0.1515 | 0.064* | |
C30 | 0.5382 (3) | 0.4295 (3) | 0.0996 (3) | 0.071 (2) | |
H30A | 0.5549 | 0.4007 | 0.0832 | 0.107* | |
H30B | 0.5628 | 0.4502 | 0.1168 | 0.107* | |
H30C | 0.5214 | 0.4522 | 0.0770 | 0.107* | |
C31 | 0.2700 (2) | 0.5719 (2) | 0.16830 (19) | 0.0301 (12) | |
C32 | 0.2400 (2) | 0.6154 (2) | 0.1432 (2) | 0.0365 (13) | |
C33 | 0.2204 (2) | 0.6574 (2) | 0.1786 (2) | 0.0439 (15) | |
H33A | 0.2014 | 0.6843 | 0.1620 | 0.066* | |
H33B | 0.2485 | 0.6739 | 0.1946 | 0.066* | |
H33C | 0.1990 | 0.6401 | 0.2016 | 0.066* | |
C34 | 0.2775 (3) | 0.6423 (2) | 0.1087 (2) | 0.0487 (16) | |
H34A | 0.2605 | 0.6702 | 0.0914 | 0.073* | |
H34B | 0.2902 | 0.6159 | 0.0868 | 0.073* | |
H34C | 0.3051 | 0.6574 | 0.1263 | 0.073* | |
C35 | 0.1965 (2) | 0.5917 (3) | 0.1150 (2) | 0.0529 (17) | |
H35A | 0.1783 | 0.6202 | 0.0995 | 0.079* | |
H35B | 0.1741 | 0.5728 | 0.1360 | 0.079* | |
H35C | 0.2095 | 0.5673 | 0.0916 | 0.079* | |
C36 | 0.2663 (4) | 0.3841 (3) | 0.0963 (3) | 0.067 (2) | |
C37 | 0.2278 (3) | 0.3391 (3) | 0.0834 (3) | 0.0637 (19) | |
C38 | 0.2277 (4) | 0.3306 (4) | 0.0315 (3) | 0.083 (3) | |
H38A | 0.2180 | 0.3633 | 0.0158 | 0.124* | |
H38B | 0.2040 | 0.3026 | 0.0236 | 0.124* | |
H38C | 0.2610 | 0.3203 | 0.0212 | 0.124* | |
C39 | 0.1736 (4) | 0.3574 (4) | 0.1000 (3) | 0.092 (3) | |
H39A | 0.1631 | 0.3881 | 0.0818 | 0.138* | |
H39B | 0.1746 | 0.3669 | 0.1330 | 0.138* | |
H39C | 0.1500 | 0.3285 | 0.0954 | 0.138* | |
C40 | 0.2413 (4) | 0.2932 (3) | 0.1119 (3) | 0.081 (3) | |
H40A | 0.2402 | 0.3029 | 0.1449 | 0.122* | |
H40B | 0.2748 | 0.2816 | 0.1038 | 0.122* | |
H40C | 0.2178 | 0.2645 | 0.1061 | 0.122* | |
C41 | 0.3631 (2) | 0.3687 (2) | 0.2302 (2) | 0.0311 (12) | |
C42 | 0.3706 (2) | 0.3081 (2) | 0.2416 (2) | 0.0355 (13) | |
C43 | 0.3835 (3) | 0.2778 (2) | 0.1958 (2) | 0.0435 (15) | |
H43A | 0.3566 | 0.2823 | 0.1733 | 0.065* | |
H43B | 0.3878 | 0.2403 | 0.2027 | 0.065* | |
H43C | 0.4143 | 0.2919 | 0.1827 | 0.065* | |
C44 | 0.3201 (3) | 0.2874 (2) | 0.2606 (3) | 0.0533 (17) | |
H44A | 0.3117 | 0.3062 | 0.2893 | 0.080* | |
H44B | 0.3227 | 0.2496 | 0.2671 | 0.080* | |
H44C | 0.2941 | 0.2934 | 0.2374 | 0.080* | |
C45 | 0.4130 (3) | 0.3014 (2) | 0.2778 (3) | 0.060 (2) | |
H45A | 0.4045 | 0.3206 | 0.3063 | 0.091* | |
H45B | 0.4439 | 0.3155 | 0.2649 | 0.091* | |
H45C | 0.4172 | 0.2639 | 0.2849 | 0.091* | |
C46 | 0.2540 (2) | 0.4468 (2) | 0.2715 (2) | 0.0304 (12) | |
C47 | 0.2014 (2) | 0.4285 (2) | 0.2594 (2) | 0.0359 (13) | |
C48 | 0.1770 (2) | 0.4691 (3) | 0.2250 (3) | 0.0555 (18) | |
H48A | 0.1434 | 0.4576 | 0.2173 | 0.083* | |
H48B | 0.1969 | 0.4712 | 0.1965 | 0.083* | |
H48C | 0.1757 | 0.5039 | 0.2398 | 0.083* | |
C49 | 0.2061 (3) | 0.3734 (3) | 0.2368 (3) | 0.0605 (19) | |
H49A | 0.1730 | 0.3603 | 0.2287 | 0.091* | |
H49B | 0.2217 | 0.3490 | 0.2588 | 0.091* | |
H49C | 0.2264 | 0.3759 | 0.2087 | 0.091* | |
C50 | 0.1679 (3) | 0.4229 (3) | 0.3035 (3) | 0.066 (2) | |
H50A | 0.1347 | 0.4111 | 0.2942 | 0.099* | |
H50B | 0.1654 | 0.4571 | 0.3192 | 0.099* | |
H50C | 0.1825 | 0.3970 | 0.3247 | 0.099* | |
C51 | 0.2932 (3) | 0.3647 (2) | 0.4073 (2) | 0.0509 (17) | |
C52 | 0.2696 (3) | 0.3130 (3) | 0.4249 (3) | 0.0601 (18) | |
C53 | 0.2336 (4) | 0.2947 (4) | 0.3874 (3) | 0.088 (3) | |
H53A | 0.2516 | 0.2893 | 0.3581 | 0.132* | |
H53B | 0.2079 | 0.3215 | 0.3828 | 0.132* | |
H53C | 0.2181 | 0.2615 | 0.3970 | 0.132* | |
C54 | 0.3121 (4) | 0.2715 (3) | 0.4294 (3) | 0.086 (3) | |
H54A | 0.3352 | 0.2826 | 0.4539 | 0.129* | |
H54B | 0.3298 | 0.2687 | 0.3998 | 0.129* | |
H54C | 0.2979 | 0.2372 | 0.4375 | 0.129* | |
C55 | 0.2433 (4) | 0.3210 (4) | 0.4723 (3) | 0.107 (4) | |
H55A | 0.2674 | 0.3328 | 0.4955 | 0.160* | |
H55B | 0.2285 | 0.2876 | 0.4824 | 0.160* | |
H55C | 0.2171 | 0.3476 | 0.4690 | 0.160* | |
C56 | 0.2841 (2) | 0.5851 (2) | 0.34170 (19) | 0.0300 (12) | |
C57 | 0.2342 (2) | 0.5997 (2) | 0.3659 (2) | 0.0342 (12) | |
C58 | 0.2092 (3) | 0.6429 (3) | 0.3358 (3) | 0.067 (2) | |
H58A | 0.1776 | 0.6531 | 0.3500 | 0.101* | |
H58B | 0.2032 | 0.6291 | 0.3045 | 0.101* | |
H58C | 0.2311 | 0.6737 | 0.3339 | 0.101* | |
C59 | 0.2412 (3) | 0.6183 (3) | 0.4169 (2) | 0.0605 (19) | |
H59A | 0.2089 | 0.6270 | 0.4304 | 0.091* | |
H59B | 0.2625 | 0.6496 | 0.4175 | 0.091* | |
H59C | 0.2567 | 0.5900 | 0.4351 | 0.091* | |
C60 | 0.2004 (3) | 0.5494 (3) | 0.3658 (3) | 0.065 (2) | |
H60A | 0.1688 | 0.5575 | 0.3808 | 0.098* | |
H60B | 0.2170 | 0.5209 | 0.3828 | 0.098* | |
H60C | 0.1944 | 0.5382 | 0.3336 | 0.098* | |
C61 | 0.3789 (2) | 0.5046 (2) | 0.42095 (18) | 0.0285 (12) | |
C62 | 0.3846 (3) | 0.4989 (3) | 0.4750 (2) | 0.0465 (15) | |
C63 | 0.3358 (3) | 0.5108 (4) | 0.4998 (3) | 0.082 (3) | |
H63A | 0.3100 | 0.4869 | 0.4883 | 0.122* | |
H63B | 0.3261 | 0.5473 | 0.4937 | 0.122* | |
H63C | 0.3400 | 0.5057 | 0.5334 | 0.122* | |
C64 | 0.3997 (5) | 0.4408 (4) | 0.4857 (3) | 0.136 (5) | |
H64A | 0.4253 | 0.4295 | 0.4637 | 0.204* | |
H64B | 0.3706 | 0.4180 | 0.4826 | 0.204* | |
H64C | 0.4126 | 0.4385 | 0.5175 | 0.204* | |
C65 | 0.4266 (5) | 0.5344 (6) | 0.4921 (3) | 0.148 (6) | |
H65A | 0.4181 | 0.5713 | 0.4862 | 0.114* | |
H65B | 0.4573 | 0.5255 | 0.4756 | 0.114* | |
H65C | 0.4314 | 0.5291 | 0.5256 | 0.114* | |
C66 | 0.4653 (2) | 0.42595 (19) | 0.3331 (2) | 0.0313 (12) | |
C67 | 0.5153 (2) | 0.4070 (2) | 0.3534 (2) | 0.0334 (12) | |
C68 | 0.5431 (3) | 0.4568 (3) | 0.3699 (3) | 0.076 (3) | |
H68A | 0.5752 | 0.4466 | 0.3831 | 0.114* | |
H68B | 0.5234 | 0.4749 | 0.3936 | 0.114* | |
H68C | 0.5485 | 0.4804 | 0.3434 | 0.114* | |
C69 | 0.5466 (3) | 0.3807 (3) | 0.3149 (3) | 0.072 (2) | |
H69A | 0.5782 | 0.3688 | 0.3280 | 0.108* | |
H69B | 0.5530 | 0.4062 | 0.2900 | 0.108* | |
H69C | 0.5286 | 0.3504 | 0.3022 | 0.108* | |
C70 | 0.5076 (3) | 0.3690 (4) | 0.3942 (4) | 0.110 (4) | |
H70A | 0.5400 | 0.3577 | 0.4062 | 0.165* | |
H70B | 0.4890 | 0.3381 | 0.3836 | 0.165* | |
H70C | 0.4891 | 0.3868 | 0.4189 | 0.165* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Mn1 | 0.0179 (12) | 0.0280 (7) | 0.0220 (9) | 0.0034 (7) | −0.0035 (7) | 0.0029 (6) |
Mn2 | 0.0242 (12) | 0.0273 (8) | 0.0197 (12) | 0.0021 (7) | −0.0068 (7) | 0.0050 (7) |
Mn3 | 0.0298 (7) | 0.0284 (5) | 0.0268 (8) | −0.0048 (5) | 0.0049 (6) | 0.0020 (5) |
Mn4 | 0.0285 (6) | 0.0273 (6) | 0.0263 (5) | −0.0006 (4) | −0.0027 (4) | −0.0016 (4) |
Mn5 | 0.0382 (6) | 0.0293 (6) | 0.0268 (7) | −0.0066 (6) | 0.0021 (5) | 0.0028 (5) |
Mn6 | 0.0370 (6) | 0.0272 (6) | 0.0272 (5) | −0.0036 (4) | −0.0016 (4) | −0.0011 (5) |
O1 | 0.0277 (19) | 0.0207 (16) | 0.0142 (17) | −0.0027 (14) | 0.0006 (14) | 0.0015 (13) |
O2 | 0.0222 (18) | 0.0187 (15) | 0.0157 (16) | −0.0025 (13) | 0.0001 (13) | 0.0018 (13) |
O3 | 0.061 (3) | 0.037 (2) | 0.033 (2) | −0.014 (2) | 0.001 (2) | −0.0082 (18) |
O4 | 0.066 (3) | 0.075 (4) | 0.053 (3) | −0.017 (3) | 0.007 (3) | −0.026 (3) |
O5 | 0.030 (2) | 0.037 (2) | 0.032 (2) | −0.0085 (17) | −0.0059 (17) | −0.0022 (16) |
O6 | 0.030 (2) | 0.0251 (18) | 0.030 (2) | −0.0017 (15) | 0.0021 (16) | 0.0028 (15) |
O7 | 0.030 (2) | 0.0263 (18) | 0.029 (2) | −0.0018 (16) | −0.0043 (16) | 0.0059 (15) |
O8 | 0.042 (2) | 0.0254 (18) | 0.032 (2) | −0.0029 (17) | 0.0022 (17) | 0.0041 (16) |
O9 | 0.042 (2) | 0.042 (2) | 0.039 (2) | −0.0072 (19) | 0.008 (2) | 0.0053 (18) |
O10 | 0.072 (3) | 0.044 (2) | 0.055 (3) | 0.000 (2) | 0.021 (2) | 0.003 (2) |
O11 | 0.041 (2) | 0.039 (2) | 0.025 (2) | 0.0003 (18) | −0.0033 (17) | 0.0065 (17) |
O12 | 0.055 (3) | 0.031 (2) | 0.027 (2) | −0.0052 (18) | 0.0046 (18) | −0.0037 (16) |
O13 | 0.039 (2) | 0.0265 (18) | 0.026 (2) | 0.0054 (16) | 0.0084 (16) | −0.0014 (15) |
O14 | 0.038 (2) | 0.029 (2) | 0.030 (2) | 0.0017 (17) | 0.0083 (17) | 0.0041 (16) |
O15 | 0.026 (2) | 0.038 (2) | 0.023 (2) | 0.0012 (16) | −0.0026 (15) | 0.0047 (16) |
O16 | 0.036 (2) | 0.041 (2) | 0.027 (2) | −0.0042 (18) | −0.0077 (17) | 0.0049 (17) |
O17 | 0.077 (4) | 0.054 (3) | 0.033 (3) | −0.025 (2) | −0.015 (2) | −0.003 (2) |
O18 | 0.134 (6) | 0.059 (3) | 0.060 (4) | −0.026 (4) | 0.009 (4) | −0.022 (3) |
O19 | 0.049 (3) | 0.0256 (19) | 0.031 (2) | −0.0052 (17) | 0.0003 (18) | −0.0031 (16) |
O20 | 0.032 (2) | 0.0216 (18) | 0.033 (2) | −0.0031 (15) | 0.0045 (16) | 0.0007 (15) |
O21 | 0.028 (2) | 0.0334 (19) | 0.030 (2) | −0.0056 (16) | 0.0029 (16) | −0.0046 (16) |
O22 | 0.031 (2) | 0.039 (2) | 0.030 (2) | −0.0094 (17) | 0.0036 (17) | 0.0075 (17) |
O23 | 0.049 (3) | 0.032 (2) | 0.036 (2) | −0.0027 (18) | 0.0134 (19) | 0.0038 (17) |
O24 | 0.098 (5) | 0.054 (3) | 0.078 (4) | −0.022 (3) | 0.038 (3) | −0.014 (3) |
O25 | 0.031 (2) | 0.0336 (19) | 0.027 (2) | 0.0006 (16) | 0.0025 (16) | 0.0069 (15) |
O26 | 0.0237 (19) | 0.0320 (19) | 0.027 (2) | 0.0047 (15) | 0.0016 (15) | 0.0050 (15) |
O27 | 0.0251 (19) | 0.0273 (17) | 0.026 (2) | 0.0064 (15) | −0.0045 (15) | −0.0011 (15) |
O28 | 0.034 (2) | 0.0311 (19) | 0.028 (2) | 0.0022 (16) | 0.0019 (17) | −0.0048 (15) |
O29 | 0.042 (2) | 0.0310 (19) | 0.0251 (19) | −0.0116 (17) | 0.0053 (17) | −0.0025 (15) |
O30 | 0.043 (2) | 0.034 (2) | 0.0220 (19) | −0.0097 (18) | −0.0060 (17) | 0.0009 (16) |
C1 | 0.053 (4) | 0.053 (4) | 0.046 (4) | −0.008 (3) | −0.005 (3) | −0.003 (3) |
C2 | 0.080 (5) | 0.081 (5) | 0.047 (4) | −0.008 (4) | −0.011 (4) | −0.029 (4) |
C3 | 0.074 (5) | 0.135 (9) | 0.115 (8) | −0.049 (5) | −0.013 (5) | −0.052 (7) |
C4 | 0.115 (8) | 0.064 (5) | 0.129 (9) | −0.013 (5) | −0.032 (7) | −0.020 (5) |
C5 | 0.260 (15) | 0.117 (8) | 0.060 (5) | −0.096 (9) | −0.066 (7) | 0.012 (6) |
C6 | 0.028 (3) | 0.026 (3) | 0.037 (3) | 0.000 (2) | −0.001 (2) | 0.010 (2) |
C7 | 0.026 (3) | 0.042 (3) | 0.039 (3) | −0.008 (2) | −0.002 (2) | 0.005 (3) |
C8 | 0.038 (4) | 0.090 (5) | 0.051 (4) | −0.015 (4) | −0.010 (3) | 0.015 (4) |
C9 | 0.035 (4) | 0.063 (4) | 0.053 (4) | 0.002 (3) | 0.007 (3) | 0.001 (3) |
C10 | 0.071 (5) | 0.024 (3) | 0.068 (5) | −0.012 (3) | −0.013 (4) | −0.007 (3) |
C11 | 0.023 (3) | 0.029 (3) | 0.034 (3) | −0.004 (2) | −0.004 (2) | 0.001 (2) |
C12 | 0.041 (3) | 0.021 (3) | 0.037 (3) | 0.002 (2) | 0.003 (2) | 0.001 (2) |
C13 | 0.068 (5) | 0.032 (3) | 0.047 (4) | 0.009 (3) | 0.003 (3) | 0.008 (3) |
C14 | 0.079 (5) | 0.037 (3) | 0.057 (4) | 0.022 (3) | 0.024 (4) | 0.004 (3) |
C15 | 0.041 (4) | 0.045 (4) | 0.058 (4) | −0.024 (3) | 0.003 (3) | 0.008 (3) |
C16 | 0.053 (4) | 0.045 (3) | 0.041 (4) | −0.012 (3) | 0.004 (3) | 0.000 (3) |
C17 | 0.043 (3) | 0.041 (3) | 0.034 (3) | −0.003 (3) | 0.004 (3) | 0.011 (3) |
C18 | 0.087 (6) | 0.043 (3) | 0.053 (4) | 0.002 (4) | 0.016 (4) | 0.007 (3) |
C19 | 0.054 (4) | 0.065 (5) | 0.083 (6) | −0.011 (3) | −0.017 (4) | 0.021 (4) |
C20 | 0.065 (5) | 0.061 (4) | 0.041 (4) | −0.001 (4) | 0.006 (3) | 0.012 (3) |
C21 | 0.037 (3) | 0.034 (3) | 0.021 (3) | 0.003 (2) | 0.006 (2) | 0.003 (2) |
C22 | 0.044 (4) | 0.050 (3) | 0.024 (3) | −0.007 (3) | 0.007 (2) | −0.001 (2) |
C23 | 0.062 (4) | 0.057 (4) | 0.030 (3) | 0.006 (3) | 0.007 (3) | 0.011 (3) |
C24 | 0.099 (6) | 0.066 (4) | 0.029 (3) | 0.032 (4) | 0.010 (4) | 0.006 (3) |
C25 | 0.065 (4) | 0.063 (4) | 0.033 (3) | −0.002 (3) | −0.008 (3) | −0.001 (3) |
C26 | 0.030 (3) | 0.041 (3) | 0.031 (3) | 0.004 (2) | 0.006 (2) | −0.007 (2) |
C27 | 0.050 (4) | 0.037 (3) | 0.033 (3) | 0.011 (3) | 0.020 (3) | 0.000 (2) |
C28 | 0.086 (5) | 0.047 (4) | 0.040 (4) | 0.011 (3) | −0.004 (3) | −0.012 (3) |
C29 | 0.043 (4) | 0.039 (3) | 0.046 (4) | 0.010 (3) | 0.008 (3) | −0.002 (3) |
C30 | 0.086 (6) | 0.049 (4) | 0.080 (5) | 0.019 (4) | 0.057 (5) | 0.008 (4) |
C31 | 0.030 (3) | 0.034 (3) | 0.027 (3) | 0.005 (2) | −0.004 (2) | 0.002 (2) |
C32 | 0.035 (3) | 0.046 (3) | 0.029 (3) | 0.010 (3) | −0.003 (2) | 0.004 (2) |
C33 | 0.037 (3) | 0.051 (4) | 0.044 (4) | 0.018 (3) | −0.005 (3) | 0.001 (3) |
C34 | 0.063 (4) | 0.041 (3) | 0.042 (4) | 0.010 (3) | 0.005 (3) | 0.014 (3) |
C35 | 0.041 (4) | 0.070 (4) | 0.047 (4) | 0.013 (3) | −0.016 (3) | −0.007 (3) |
C36 | 0.103 (6) | 0.064 (4) | 0.035 (4) | −0.030 (4) | 0.006 (4) | 0.007 (4) |
C37 | 0.093 (5) | 0.054 (4) | 0.044 (4) | −0.025 (4) | −0.015 (4) | −0.001 (3) |
C38 | 0.103 (7) | 0.095 (6) | 0.051 (4) | −0.012 (5) | −0.013 (4) | −0.014 (4) |
C39 | 0.083 (6) | 0.116 (7) | 0.077 (6) | −0.015 (5) | −0.001 (5) | −0.013 (5) |
C40 | 0.111 (7) | 0.056 (4) | 0.077 (5) | −0.028 (4) | −0.018 (5) | 0.011 (4) |
C41 | 0.035 (3) | 0.028 (3) | 0.030 (3) | 0.006 (2) | 0.006 (2) | −0.002 (2) |
C42 | 0.045 (3) | 0.018 (3) | 0.044 (3) | −0.002 (2) | −0.001 (3) | −0.008 (2) |
C43 | 0.056 (4) | 0.026 (3) | 0.048 (4) | 0.003 (3) | 0.006 (3) | −0.008 (3) |
C44 | 0.072 (4) | 0.029 (3) | 0.059 (4) | −0.006 (3) | 0.017 (3) | 0.004 (3) |
C45 | 0.092 (5) | 0.028 (3) | 0.061 (4) | 0.015 (3) | −0.023 (4) | −0.008 (3) |
C46 | 0.032 (3) | 0.023 (3) | 0.036 (3) | −0.002 (2) | 0.002 (2) | −0.002 (2) |
C47 | 0.026 (3) | 0.036 (3) | 0.046 (3) | −0.013 (2) | −0.001 (2) | 0.006 (2) |
C48 | 0.034 (4) | 0.060 (4) | 0.072 (5) | −0.004 (3) | −0.009 (3) | 0.014 (4) |
C49 | 0.048 (4) | 0.051 (4) | 0.083 (5) | −0.022 (3) | −0.005 (4) | −0.014 (3) |
C50 | 0.042 (4) | 0.094 (6) | 0.062 (5) | −0.017 (4) | 0.006 (3) | 0.009 (4) |
C51 | 0.073 (5) | 0.033 (3) | 0.046 (4) | −0.003 (3) | 0.016 (4) | −0.001 (3) |
C52 | 0.077 (5) | 0.049 (4) | 0.055 (4) | −0.012 (3) | 0.023 (4) | 0.008 (3) |
C53 | 0.086 (6) | 0.083 (6) | 0.096 (6) | −0.038 (5) | 0.003 (5) | 0.006 (5) |
C54 | 0.108 (7) | 0.056 (4) | 0.094 (7) | 0.004 (4) | 0.010 (5) | 0.021 (4) |
C55 | 0.157 (10) | 0.073 (6) | 0.091 (6) | −0.028 (6) | 0.068 (7) | −0.003 (5) |
C56 | 0.029 (3) | 0.031 (3) | 0.030 (3) | 0.008 (2) | 0.001 (2) | 0.002 (2) |
C57 | 0.032 (3) | 0.038 (3) | 0.033 (3) | 0.008 (2) | 0.004 (2) | −0.003 (2) |
C58 | 0.052 (4) | 0.083 (5) | 0.067 (5) | 0.039 (4) | 0.013 (4) | 0.018 (4) |
C59 | 0.050 (4) | 0.082 (5) | 0.050 (4) | 0.013 (4) | 0.009 (3) | −0.017 (3) |
C60 | 0.050 (4) | 0.067 (4) | 0.080 (6) | −0.009 (3) | 0.021 (4) | −0.016 (4) |
C61 | 0.032 (3) | 0.030 (3) | 0.023 (3) | 0.003 (2) | −0.002 (2) | 0.001 (2) |
C62 | 0.058 (4) | 0.057 (4) | 0.024 (3) | −0.003 (3) | −0.004 (3) | 0.008 (3) |
C63 | 0.103 (6) | 0.114 (7) | 0.028 (4) | 0.028 (5) | 0.017 (4) | 0.005 (4) |
C64 | 0.219 (13) | 0.132 (7) | 0.056 (6) | 0.103 (8) | 0.008 (7) | 0.047 (6) |
C65 | 0.177 (10) | 0.178 (14) | 0.048 (5) | −0.094 (12) | −0.060 (6) | 0.054 (7) |
C66 | 0.037 (3) | 0.019 (2) | 0.038 (3) | 0.009 (2) | −0.002 (3) | 0.001 (2) |
C67 | 0.026 (3) | 0.038 (3) | 0.037 (3) | 0.011 (2) | −0.001 (2) | 0.008 (2) |
C68 | 0.076 (6) | 0.057 (4) | 0.095 (6) | 0.013 (4) | −0.050 (5) | −0.015 (4) |
C69 | 0.045 (4) | 0.101 (6) | 0.070 (5) | 0.036 (4) | −0.015 (4) | −0.033 (4) |
C70 | 0.045 (5) | 0.148 (8) | 0.137 (8) | 0.019 (5) | 0.006 (5) | 0.116 (7) |
Geometric parameters (Å, º) top
Mn1—O1 | 1.846 (4) | C22—C23 | 1.520 (9) |
Mn1—O2 | 1.877 (4) | C22—C25 | 1.538 (9) |
Mn1—O13 | 1.956 (4) | C23—H23A | 0.9600 |
Mn1—O26 | 1.985 (4) | C23—H23B | 0.9600 |
Mn1—O20 | 2.229 (4) | C23—H23C | 0.9600 |
Mn1—O6 | 2.246 (4) | C24—H24A | 0.9600 |
Mn1—Mn2 | 2.744 (3) | C24—H24B | 0.9600 |
Mn1—Mn3 | 3.121 (3) | C24—H24C | 0.9600 |
Mn1—Mn5 | 3.125 (3) | C25—H25A | 0.9600 |
Mn2—O1 | 1.886 (4) | C25—H25B | 0.9600 |
Mn2—O2 | 1.845 (4) | C25—H25C | 0.9600 |
Mn2—O15 | 2.001 (4) | C26—C27 | 1.512 (8) |
Mn2—O27 | 1.959 (4) | C27—C30 | 1.500 (9) |
Mn2—O21 | 2.222 (5) | C27—C29 | 1.541 (8) |
Mn2—O7 | 2.249 (4) | C27—C28 | 1.570 (10) |
Mn2—Mn6 | 3.137 (3) | C28—H28A | 0.9600 |
Mn2—Mn4 | 3.106 (3) | C28—H28B | 0.9600 |
Mn3—O22 | 2.136 (4) | C28—H28C | 0.9600 |
Mn3—O25 | 2.140 (4) | C29—H29A | 0.9600 |
Mn3—O2 | 2.151 (4) | C29—H29B | 0.9600 |
Mn3—O29 | 2.197 (4) | C29—H29C | 0.9600 |
Mn3—O23 | 2.242 (4) | C30—H30A | 0.9600 |
Mn3—O20 | 2.257 (4) | C30—H30B | 0.9600 |
Mn4—O5 | 2.126 (4) | C30—H30C | 0.9600 |
Mn4—O30 | 2.130 (4) | C31—C32 | 1.516 (7) |
Mn4—O2 | 2.171 (3) | C32—C35 | 1.518 (9) |
Mn4—O3 | 2.207 (4) | C32—C33 | 1.535 (8) |
Mn4—O28 | 2.213 (4) | C32—C34 | 1.540 (9) |
Mn4—O7 | 2.256 (4) | C33—H33A | 0.9600 |
Mn5—O8 | 2.084 (4) | C33—H33B | 0.9600 |
Mn5—O11 | 2.144 (4) | C33—H33C | 0.9600 |
Mn5—O1 | 2.155 (4) | C34—H34A | 0.9600 |
Mn5—O9 | 2.204 (4) | C34—H34B | 0.9600 |
Mn5—O14 | 2.237 (4) | C34—H34C | 0.9600 |
Mn5—O6 | 2.270 (4) | C35—H35A | 0.9600 |
Mn6—O16 | 2.124 (4) | C35—H35B | 0.9600 |
Mn6—O1 | 2.159 (4) | C35—H35C | 0.9600 |
Mn6—O19 | 2.168 (4) | C36—C37 | 1.555 (10) |
Mn6—O12 | 2.200 (4) | C37—C40 | 1.439 (10) |
Mn6—O17 | 2.216 (4) | C37—C38 | 1.478 (10) |
Mn6—O21 | 2.253 (4) | C37—C39 | 1.584 (13) |
O3—C1 | 1.252 (8) | C38—H38A | 0.9600 |
O4—C1 | 1.308 (8) | C38—H38B | 0.9600 |
O4—H4 | 0.8200 | C38—H38C | 0.9600 |
O5—C6 | 1.258 (7) | C39—H39A | 0.9600 |
O6—C6 | 1.267 (7) | C39—H39B | 0.9600 |
O7—C11 | 1.272 (6) | C39—H39C | 0.9600 |
O8—C11 | 1.244 (7) | C40—H40A | 0.9600 |
O9—C16 | 1.173 (7) | C40—H40B | 0.9600 |
O10—C16 | 1.342 (8) | C40—H40C | 0.9600 |
O10—H10 | 0.8200 | C41—C42 | 1.549 (7) |
O11—C21 | 1.238 (6) | C42—C45 | 1.521 (9) |
O12—C21 | 1.265 (6) | C42—C44 | 1.531 (9) |
O13—C26 | 1.275 (7) | C42—C43 | 1.536 (8) |
O14—C26 | 1.274 (7) | C43—H43A | 0.9600 |
O15—C31 | 1.274 (6) | C43—H43B | 0.9600 |
O16—C31 | 1.246 (6) | C43—H43C | 0.9600 |
O17—C36 | 1.147 (8) | C44—H44A | 0.9600 |
O18—C36 | 1.340 (10) | C44—H44B | 0.9600 |
O18—H18 | 0.8200 | C44—H44C | 0.9600 |
O19—C41 | 1.247 (7) | C45—H45A | 0.9600 |
O20—C41 | 1.265 (6) | C45—H45B | 0.9600 |
O21—C46 | 1.270 (6) | C45—H45C | 0.9600 |
O22—C46 | 1.272 (7) | C46—C47 | 1.503 (8) |
O23—C51 | 1.214 (8) | C47—C49 | 1.515 (9) |
O24—C51 | 1.326 (8) | C47—C50 | 1.528 (9) |
O24—H24 | 0.8200 | C47—C48 | 1.541 (9) |
O25—C66 | 1.254 (7) | C48—H48A | 0.9600 |
O26—C66 | 1.278 (6) | C48—H48B | 0.9600 |
O27—C56 | 1.262 (6) | C48—H48C | 0.9600 |
O28—C56 | 1.261 (6) | C49—H49A | 0.9600 |
O29—C61 | 1.264 (6) | C49—H49B | 0.9600 |
O30—C61 | 1.230 (6) | C49—H49C | 0.9600 |
C1—C2 | 1.532 (10) | C50—H50A | 0.9600 |
C2—C5 | 1.515 (15) | C50—H50B | 0.9600 |
C2—C4 | 1.519 (12) | C50—H50C | 0.9600 |
C2—C3 | 1.553 (12) | C51—C52 | 1.511 (9) |
C3—H3A | 0.9600 | C52—C53 | 1.493 (12) |
C3—H3B | 0.9600 | C52—C55 | 1.527 (15) |
C3—H3C | 0.9600 | C52—C54 | 1.531 (11) |
C4—H4A | 0.9600 | C53—H53A | 0.9600 |
C4—H4B | 0.9600 | C53—H53B | 0.9600 |
C4—H4C | 0.9600 | C53—H53C | 0.9600 |
C5—H5A1 | 0.9600 | C54—H54A | 0.9600 |
C5—H5A2 | 0.9600 | C54—H54B | 0.9600 |
C5—H5A3 | 0.9600 | C54—H54C | 0.9600 |
C6—C7 | 1.505 (8) | C55—H55A | 0.9600 |
C7—C9 | 1.510 (9) | C55—H55B | 0.9600 |
C7—C8 | 1.532 (9) | C55—H55C | 0.9600 |
C7—C15 | 1.554 (8) | C56—C57 | 1.528 (7) |
C8—H8A | 0.9600 | C57—C58 | 1.517 (9) |
C8—H8B | 0.9600 | C57—C59 | 1.522 (9) |
C8—H8C | 0.9600 | C57—C60 | 1.536 (9) |
C9—H9A | 0.9600 | C58—H58A | 0.9600 |
C9—H9B | 0.9600 | C58—H58B | 0.9600 |
C9—H9C | 0.9600 | C58—H58C | 0.9600 |
C10—C12 | 1.530 (9) | C59—H59A | 0.9600 |
C10—H10A | 0.9600 | C59—H59B | 0.9600 |
C10—H10B | 0.9600 | C59—H59C | 0.9600 |
C10—H10C | 0.9600 | C60—H60A | 0.9600 |
C11—C12 | 1.522 (7) | C60—H60B | 0.9600 |
C12—C14 | 1.535 (8) | C60—H60C | 0.9600 |
C12—C13 | 1.548 (8) | C61—C62 | 1.536 (8) |
C13—H13A | 0.9600 | C62—C64 | 1.526 (14) |
C13—H13B | 0.9600 | C62—C63 | 1.492 (10) |
C13—H13C | 0.9600 | C62—C65 | 1.498 (16) |
C14—H14A | 0.9600 | C63—H63A | 0.9600 |
C14—H14B | 0.9600 | C63—H63C | 0.9600 |
C14—H14C | 0.9600 | C64—H64A | 0.9600 |
C15—H15A | 0.9600 | C64—H64B | 0.9600 |
C15—H15B | 0.9600 | C64—H64C | 0.9600 |
C15—H15C | 0.9600 | C65—H65A | 0.9600 |
C16—C17 | 1.531 (8) | C65—H65B | 0.9600 |
C17—C18 | 1.480 (9) | C65—H65C | 0.9600 |
C17—C19 | 1.519 (9) | C66—C67 | 1.512 (8) |
C17—C20 | 1.532 (9) | C67—C70 | 1.502 (9) |
C18—H18A | 0.9600 | C67—C69 | 1.513 (9) |
C18—H18B | 0.9600 | C67—C68 | 1.513 (9) |
C18—H18C | 0.9600 | C68—H68A | 0.9600 |
C19—H19A | 0.9600 | C68—H68B | 0.9600 |
C19—H19B | 0.9600 | C68—H68C | 0.9600 |
C19—H19C | 0.9600 | C69—H69A | 0.9600 |
C20—H20A | 0.9600 | C69—H69B | 0.9600 |
C20—H20B | 0.9600 | C69—H69C | 0.9600 |
C20—H20C | 0.9600 | C70—H70A | 0.9600 |
C21—C22 | 1.545 (8) | C70—H70B | 0.9600 |
C22—C24 | 1.493 (9) | C70—H70C | 0.9600 |
O1—Mn1—O2 | 85.20 (16) | C18—C17—C20 | 111.9 (6) |
O1—Mn1—O13 | 95.13 (17) | C19—C17—C20 | 110.3 (6) |
O2—Mn1—O13 | 173.1 (2) | C16—C17—C20 | 107.7 (5) |
O1—Mn1—O26 | 172.7 (2) | C17—C18—H18A | 109.5 |
O2—Mn1—O26 | 94.59 (17) | C17—C18—H18B | 109.5 |
O13—Mn1—O26 | 85.95 (17) | H18A—C18—H18B | 109.5 |
O1—Mn1—O20 | 99.50 (17) | C17—C18—H18C | 109.5 |
O2—Mn1—O20 | 85.44 (17) | H18A—C18—H18C | 109.5 |
O13—Mn1—O20 | 87.73 (17) | H18B—C18—H18C | 109.5 |
O26—Mn1—O20 | 87.74 (16) | C17—C19—H19A | 109.5 |
O1—Mn1—O6 | 85.62 (17) | C17—C19—H19B | 109.5 |
O2—Mn1—O6 | 97.97 (17) | H19A—C19—H19B | 109.5 |
O13—Mn1—O6 | 88.90 (17) | C17—C19—H19C | 109.5 |
O26—Mn1—O6 | 87.19 (16) | H19A—C19—H19C | 109.5 |
O20—Mn1—O6 | 174.10 (16) | H19B—C19—H19C | 109.5 |
O1—Mn1—Mn2 | 43.23 (12) | C17—C20—H20A | 109.5 |
O2—Mn1—Mn2 | 42.04 (11) | C17—C20—H20B | 109.5 |
O13—Mn1—Mn2 | 137.82 (15) | H20A—C20—H20B | 109.5 |
O26—Mn1—Mn2 | 136.27 (15) | C17—C20—H20C | 109.5 |
O20—Mn1—Mn2 | 92.91 (13) | H20A—C20—H20C | 109.5 |
O6—Mn1—Mn2 | 92.84 (14) | H20B—C20—H20C | 109.5 |
O1—Mn1—Mn3 | 106.04 (14) | O11—C21—O12 | 124.2 (5) |
O2—Mn1—Mn3 | 42.51 (11) | O11—C21—C22 | 117.4 (5) |
O13—Mn1—Mn3 | 131.28 (16) | O12—C21—C22 | 118.3 (5) |
O26—Mn1—Mn3 | 78.34 (13) | C24—C22—C23 | 109.7 (5) |
O20—Mn1—Mn3 | 46.30 (11) | C24—C22—C25 | 110.2 (6) |
O6—Mn1—Mn3 | 135.13 (14) | C23—C22—C25 | 107.7 (6) |
Mn2—Mn1—Mn3 | 71.09 (8) | C24—C22—C21 | 109.4 (5) |
O1—Mn1—Mn5 | 42.32 (12) | C23—C22—C21 | 110.8 (5) |
O2—Mn1—Mn5 | 104.81 (13) | C25—C22—C21 | 109.1 (5) |
O13—Mn1—Mn5 | 79.75 (13) | C22—C23—H23A | 109.5 |
O26—Mn1—Mn5 | 131.23 (15) | C22—C23—H23B | 109.5 |
O20—Mn1—Mn5 | 137.24 (13) | H23A—C23—H23B | 109.5 |
O6—Mn1—Mn5 | 46.53 (11) | C22—C23—H23C | 109.5 |
Mn2—Mn1—Mn5 | 71.48 (8) | H23A—C23—H23C | 109.5 |
Mn3—Mn1—Mn5 | 142.56 (8) | H23B—C23—H23C | 109.5 |
O1—Mn2—O2 | 85.06 (17) | C22—C24—H24A | 109.5 |
O1—Mn2—O15 | 94.47 (17) | C22—C24—H24B | 109.5 |
O2—Mn2—O15 | 172.4 (3) | H24A—C24—H24B | 109.5 |
O1—Mn2—O27 | 172.1 (2) | C22—C24—H24C | 109.5 |
O2—Mn2—O27 | 96.73 (17) | H24A—C24—H24C | 109.5 |
O15—Mn2—O27 | 84.79 (17) | H24B—C24—H24C | 109.5 |
O1—Mn2—O21 | 84.64 (16) | C22—C25—H25A | 109.5 |
O2—Mn2—O21 | 99.23 (17) | C22—C25—H25B | 109.5 |
O15—Mn2—O21 | 88.44 (17) | H25A—C25—H25B | 109.5 |
O27—Mn2—O21 | 87.49 (17) | C22—C25—H25C | 109.5 |
O1—Mn2—O7 | 100.00 (17) | H25A—C25—H25C | 109.5 |
O2—Mn2—O7 | 86.54 (16) | H25B—C25—H25C | 109.5 |
O15—Mn2—O7 | 85.92 (16) | O14—C26—O13 | 123.3 (5) |
O27—Mn2—O7 | 87.79 (16) | O14—C26—C27 | 119.9 (5) |
O21—Mn2—O7 | 172.94 (18) | O13—C26—C27 | 116.9 (5) |
O1—Mn2—Mn1 | 42.13 (12) | C30—C27—C26 | 111.7 (5) |
O2—Mn2—Mn1 | 42.94 (12) | C30—C27—C29 | 111.7 (6) |
O15—Mn2—Mn1 | 136.13 (15) | C26—C27—C29 | 110.3 (5) |
O27—Mn2—Mn1 | 139.08 (15) | C30—C27—C28 | 109.0 (6) |
O21—Mn2—Mn1 | 92.31 (14) | C26—C27—C28 | 104.8 (5) |
O7—Mn2—Mn1 | 94.69 (14) | C29—C27—C28 | 109.1 (5) |
O1—Mn2—Mn6 | 42.37 (11) | C27—C28—H28A | 109.5 |
O2—Mn2—Mn6 | 106.24 (14) | C27—C28—H28B | 109.5 |
O15—Mn2—Mn6 | 78.19 (12) | H28A—C28—H28B | 109.5 |
O27—Mn2—Mn6 | 130.05 (15) | C27—C28—H28C | 109.5 |
O21—Mn2—Mn6 | 45.98 (11) | H28A—C28—H28C | 109.5 |
O7—Mn2—Mn6 | 136.32 (13) | H28B—C28—H28C | 109.5 |
Mn1—Mn2—Mn6 | 71.40 (8) | C27—C29—H29A | 109.5 |
O1—Mn2—Mn4 | 106.39 (15) | C27—C29—H29B | 109.5 |
O2—Mn2—Mn4 | 43.33 (11) | H29A—C29—H29B | 109.5 |
O15—Mn2—Mn4 | 130.05 (15) | C27—C29—H29C | 109.5 |
O27—Mn2—Mn4 | 79.85 (13) | H29A—C29—H29C | 109.5 |
O21—Mn2—Mn4 | 137.33 (14) | H29B—C29—H29C | 109.5 |
O7—Mn2—Mn4 | 46.54 (10) | C27—C30—H30A | 109.5 |
Mn1—Mn2—Mn4 | 72.87 (8) | C27—C30—H30B | 109.5 |
Mn6—Mn2—Mn4 | 144.25 (10) | H30A—C30—H30B | 109.5 |
O22—Mn3—O25 | 165.43 (17) | C27—C30—H30C | 109.5 |
O22—Mn3—O2 | 99.55 (15) | H30A—C30—H30C | 109.5 |
O25—Mn3—O2 | 92.92 (15) | H30B—C30—H30C | 109.5 |
O22—Mn3—O29 | 99.39 (16) | O16—C31—O15 | 123.9 (5) |
O25—Mn3—O29 | 87.36 (16) | O16—C31—C32 | 118.3 (5) |
O2—Mn3—O29 | 93.06 (15) | O15—C31—C32 | 117.8 (5) |
O22—Mn3—O23 | 80.91 (16) | C31—C32—C35 | 111.3 (5) |
O25—Mn3—O23 | 86.94 (16) | C31—C32—C33 | 111.0 (5) |
O2—Mn3—O23 | 177.71 (17) | C35—C32—C33 | 110.4 (5) |
O29—Mn3—O23 | 84.65 (15) | C31—C32—C34 | 105.6 (5) |
O22—Mn3—O20 | 91.52 (16) | C35—C32—C34 | 108.9 (5) |
O25—Mn3—O20 | 83.50 (15) | C33—C32—C34 | 109.6 (5) |
O2—Mn3—O20 | 78.74 (13) | C32—C33—H33A | 109.5 |
O29—Mn3—O20 | 167.35 (17) | C32—C33—H33B | 109.5 |
O23—Mn3—O20 | 103.51 (16) | H33A—C33—H33B | 109.5 |
O22—Mn3—Mn1 | 109.38 (12) | C32—C33—H33C | 109.5 |
O25—Mn3—Mn1 | 76.67 (11) | H33A—C33—H33C | 109.5 |
O2—Mn3—Mn1 | 36.14 (10) | H33B—C33—H33C | 109.5 |
O29—Mn3—Mn1 | 123.60 (13) | C32—C34—H34A | 109.5 |
O23—Mn3—Mn1 | 145.80 (14) | C32—C34—H34B | 109.5 |
O20—Mn3—Mn1 | 45.54 (10) | H34A—C34—H34B | 109.5 |
O5—Mn4—O30 | 103.73 (16) | C32—C34—H34C | 109.5 |
O5—Mn4—O2 | 99.76 (14) | H34A—C34—H34C | 109.5 |
O30—Mn4—O2 | 92.72 (14) | H34B—C34—H34C | 109.5 |
O5—Mn4—O3 | 84.14 (16) | C32—C35—H35A | 109.5 |
O30—Mn4—O3 | 87.47 (15) | C32—C35—H35B | 109.5 |
O2—Mn4—O3 | 175.93 (16) | H35A—C35—H35B | 109.5 |
O5—Mn4—O28 | 164.37 (15) | C32—C35—H35C | 109.5 |
O30—Mn4—O28 | 85.18 (15) | H35A—C35—H35C | 109.5 |
O2—Mn4—O28 | 92.52 (14) | H35B—C35—H35C | 109.5 |
O3—Mn4—O28 | 83.44 (16) | O17—C36—O18 | 122.0 (8) |
O5—Mn4—O7 | 91.17 (15) | O17—C36—C37 | 123.6 (8) |
O30—Mn4—O7 | 164.11 (16) | O18—C36—C37 | 114.3 (7) |
O2—Mn4—O7 | 79.13 (13) | C40—C37—C38 | 116.1 (8) |
O3—Mn4—O7 | 99.71 (15) | C40—C37—C36 | 106.2 (7) |
O28—Mn4—O7 | 81.62 (14) | C38—C37—C36 | 109.8 (7) |
O5—Mn4—Mn2 | 109.23 (13) | C40—C37—C39 | 106.8 (8) |
O30—Mn4—Mn2 | 121.42 (12) | C38—C37—C39 | 109.4 (7) |
O2—Mn4—Mn2 | 35.67 (9) | C36—C37—C39 | 108.3 (7) |
O3—Mn4—Mn2 | 141.82 (13) | C37—C38—H38A | 109.5 |
O28—Mn4—Mn2 | 75.64 (11) | C37—C38—H38B | 109.5 |
O7—Mn4—Mn2 | 46.32 (10) | H38A—C38—H38B | 109.5 |
O8—Mn5—O11 | 104.87 (16) | C37—C38—H38C | 109.5 |
O8—Mn5—O1 | 100.98 (15) | H38A—C38—H38C | 109.5 |
O11—Mn5—O1 | 93.90 (15) | H38B—C38—H38C | 109.5 |
O8—Mn5—O9 | 82.50 (16) | C37—C39—H39A | 109.5 |
O11—Mn5—O9 | 87.71 (16) | C37—C39—H39B | 109.5 |
O1—Mn5—O9 | 175.63 (15) | H39A—C39—H39B | 109.5 |
O8—Mn5—O14 | 164.17 (17) | C37—C39—H39C | 109.5 |
O11—Mn5—O14 | 83.04 (16) | H39A—C39—H39C | 109.5 |
O1—Mn5—O14 | 91.97 (14) | H39B—C39—H39C | 109.5 |
O9—Mn5—O14 | 84.18 (15) | C37—C40—H40A | 109.5 |
O8—Mn5—O6 | 91.82 (16) | C37—C40—H40B | 109.5 |
O11—Mn5—O6 | 162.73 (15) | H40A—C40—H40B | 109.5 |
O1—Mn5—O6 | 78.34 (13) | C37—C40—H40C | 109.5 |
O9—Mn5—O6 | 99.00 (16) | H40A—C40—H40C | 109.5 |
O14—Mn5—O6 | 81.85 (14) | H40B—C40—H40C | 109.5 |
O8—Mn5—Mn1 | 110.21 (13) | O19—C41—O20 | 124.2 (5) |
O11—Mn5—Mn1 | 121.58 (13) | O19—C41—C42 | 118.9 (5) |
O1—Mn5—Mn1 | 35.23 (10) | O20—C41—C42 | 116.9 (5) |
O9—Mn5—Mn1 | 141.03 (13) | C45—C42—C44 | 112.0 (6) |
O14—Mn5—Mn1 | 75.58 (11) | C45—C42—C43 | 110.1 (5) |
O6—Mn5—Mn1 | 45.89 (10) | C44—C42—C43 | 108.7 (5) |
O16—Mn6—O1 | 91.93 (14) | C45—C42—C41 | 109.9 (5) |
O16—Mn6—O19 | 166.67 (16) | C44—C42—C41 | 106.8 (5) |
O1—Mn6—O19 | 99.01 (14) | C43—C42—C41 | 109.2 (5) |
O16—Mn6—O12 | 85.51 (16) | C42—C43—H43A | 109.5 |
O1—Mn6—O12 | 94.59 (14) | C42—C43—H43B | 109.5 |
O19—Mn6—O12 | 101.07 (15) | H43A—C43—H43B | 109.5 |
O16—Mn6—O17 | 86.17 (17) | C42—C43—H43C | 109.5 |
O1—Mn6—O17 | 178.08 (17) | H43A—C43—H43C | 109.5 |
O19—Mn6—O17 | 82.85 (17) | H43B—C43—H43C | 109.5 |
O12—Mn6—O17 | 85.50 (17) | C42—C44—H44A | 109.5 |
O16—Mn6—O21 | 84.43 (15) | C42—C44—H44B | 109.5 |
O1—Mn6—O21 | 77.95 (13) | H44A—C44—H44B | 109.5 |
O19—Mn6—O21 | 90.40 (15) | C42—C44—H44C | 109.5 |
O12—Mn6—O21 | 167.24 (15) | H44A—C44—H44C | 109.5 |
O17—Mn6—O21 | 101.61 (17) | H44B—C44—H44C | 109.5 |
O16—Mn6—Mn2 | 76.05 (12) | C42—C45—H45A | 109.5 |
O1—Mn6—Mn2 | 36.08 (10) | C42—C45—H45B | 109.5 |
O19—Mn6—Mn2 | 108.73 (12) | H45A—C45—H45B | 109.5 |
O12—Mn6—Mn2 | 124.41 (12) | C42—C45—H45C | 109.5 |
O17—Mn6—Mn2 | 142.83 (14) | H45A—C45—H45C | 109.5 |
O21—Mn6—Mn2 | 45.17 (11) | H45B—C45—H45C | 109.5 |
Mn1—O1—Mn2 | 94.65 (17) | O21—C46—O22 | 121.9 (5) |
Mn1—O1—Mn5 | 102.45 (18) | O21—C46—C47 | 119.0 (5) |
Mn2—O1—Mn5 | 116.66 (17) | O22—C46—C47 | 119.1 (5) |
Mn1—O1—Mn6 | 118.48 (17) | C46—C47—C49 | 106.9 (5) |
Mn2—O1—Mn6 | 101.55 (17) | C46—C47—C50 | 112.5 (5) |
Mn5—O1—Mn6 | 120.64 (15) | C49—C47—C50 | 107.9 (5) |
Mn1—O2—Mn2 | 95.02 (16) | C46—C47—C48 | 109.1 (5) |
Mn1—O2—Mn3 | 101.35 (16) | C49—C47—C48 | 111.3 (6) |
Mn2—O2—Mn3 | 117.80 (18) | C50—C47—C48 | 109.1 (6) |
Mn1—O2—Mn4 | 118.83 (18) | C47—C48—H48A | 109.5 |
Mn2—O2—Mn4 | 101.00 (16) | C47—C48—H48B | 109.5 |
Mn3—O2—Mn4 | 120.65 (16) | H48A—C48—H48B | 109.5 |
C1—O3—Mn4 | 131.8 (4) | C47—C48—H48C | 109.5 |
C1—O4—H4 | 109.5 | H48A—C48—H48C | 109.5 |
C6—O5—Mn4 | 128.8 (4) | H48B—C48—H48C | 109.5 |
C6—O6—Mn1 | 124.8 (3) | C47—C49—H49A | 109.5 |
C6—O6—Mn5 | 143.6 (3) | C47—C49—H49B | 109.5 |
Mn1—O6—Mn5 | 87.58 (14) | H49A—C49—H49B | 109.5 |
C11—O7—Mn2 | 122.5 (3) | C47—C49—H49C | 109.5 |
C11—O7—Mn4 | 144.6 (3) | H49A—C49—H49C | 109.5 |
Mn2—O7—Mn4 | 87.14 (13) | H49B—C49—H49C | 109.5 |
C11—O8—Mn5 | 129.1 (3) | C47—C50—H50A | 109.5 |
C16—O9—Mn5 | 136.0 (4) | C47—C50—H50B | 109.5 |
C16—O10—H10 | 109.5 | H50A—C50—H50B | 109.5 |
C21—O11—Mn5 | 133.3 (3) | C47—C50—H50C | 109.5 |
C21—O12—Mn6 | 125.1 (3) | H50A—C50—H50C | 109.5 |
C26—O13—Mn1 | 134.5 (4) | H50B—C50—H50C | 109.5 |
C26—O14—Mn5 | 126.1 (3) | O23—C51—O24 | 123.7 (6) |
C31—O15—Mn2 | 132.3 (4) | O23—C51—C52 | 121.9 (6) |
C31—O16—Mn6 | 129.3 (3) | O24—C51—C52 | 114.3 (6) |
C36—O17—Mn6 | 131.9 (6) | C53—C52—C51 | 107.0 (7) |
C36—O18—H18 | 109.5 | C53—C52—C55 | 111.7 (8) |
C41—O19—Mn6 | 127.1 (3) | C51—C52—C55 | 111.4 (7) |
C41—O20—Mn1 | 121.9 (3) | C53—C52—C54 | 108.9 (7) |
C41—O20—Mn3 | 146.4 (4) | C51—C52—C54 | 107.2 (6) |
Mn1—O20—Mn3 | 88.16 (15) | C55—C52—C54 | 110.5 (7) |
C46—O21—Mn2 | 123.1 (3) | C52—C53—H53A | 109.5 |
C46—O21—Mn6 | 145.2 (3) | C52—C53—H53B | 109.5 |
Mn2—O21—Mn6 | 88.85 (15) | H53A—C53—H53B | 109.5 |
C46—O22—Mn3 | 127.2 (3) | C52—C53—H53C | 109.5 |
C51—O23—Mn3 | 127.4 (4) | H53A—C53—H53C | 109.5 |
C51—O24—H24 | 109.5 | H53B—C53—H53C | 109.5 |
C66—O25—Mn3 | 127.9 (3) | C52—C54—H54A | 109.5 |
C66—O26—Mn1 | 132.6 (4) | C52—C54—H54B | 109.5 |
C56—O27—Mn2 | 133.4 (3) | H54A—C54—H54B | 109.5 |
C56—O28—Mn4 | 126.4 (3) | C52—C54—H54C | 109.5 |
C61—O29—Mn3 | 123.9 (3) | H54A—C54—H54C | 109.5 |
C61—O30—Mn4 | 131.6 (4) | H54B—C54—H54C | 109.5 |
O3—C1—O4 | 123.9 (6) | C52—C55—H55A | 109.5 |
O3—C1—C2 | 120.7 (7) | C52—C55—H55B | 109.5 |
O4—C1—C2 | 115.4 (6) | H55A—C55—H55B | 109.5 |
C5—C2—C4 | 110.3 (8) | C52—C55—H55C | 109.5 |
C5—C2—C1 | 107.9 (7) | H55A—C55—H55C | 109.5 |
C4—C2—C1 | 107.5 (7) | H55B—C55—H55C | 109.5 |
C5—C2—C3 | 112.6 (9) | O28—C56—O27 | 124.1 (5) |
C4—C2—C3 | 109.9 (8) | O28—C56—C57 | 119.8 (5) |
C1—C2—C3 | 108.5 (6) | O27—C56—C57 | 116.0 (5) |
C2—C3—H3A | 109.5 | C58—C57—C59 | 111.5 (6) |
C2—C3—H3B | 109.5 | C58—C57—C56 | 107.1 (5) |
H3A—C3—H3B | 109.5 | C59—C57—C56 | 112.8 (5) |
C2—C3—H3C | 109.5 | C58—C57—C60 | 109.1 (6) |
H3A—C3—H3C | 109.5 | C59—C57—C60 | 108.4 (6) |
H3B—C3—H3C | 109.5 | C56—C57—C60 | 107.8 (5) |
C2—C4—H4A | 109.5 | C57—C58—H58A | 109.5 |
C2—C4—H4B | 109.5 | C57—C58—H58B | 109.5 |
H4A—C4—H4B | 109.5 | H58A—C58—H58B | 109.5 |
C2—C4—H4C | 109.5 | C57—C58—H58C | 109.5 |
H4A—C4—H4C | 109.5 | H58A—C58—H58C | 109.5 |
H4B—C4—H4C | 109.5 | H58B—C58—H58C | 109.5 |
C2—C5—H5A1 | 109.5 | C57—C59—H59A | 109.5 |
C2—C5—H5A2 | 109.5 | C57—C59—H59B | 109.5 |
H5A1—C5—H5A2 | 109.5 | H59A—C59—H59B | 109.5 |
C2—C5—H5A3 | 109.5 | C57—C59—H59C | 109.5 |
H5A1—C5—H5A3 | 109.5 | H59A—C59—H59C | 109.5 |
H5A2—C5—H5A3 | 109.5 | H59B—C59—H59C | 109.5 |
O5—C6—O6 | 122.3 (5) | C57—C60—H60A | 109.5 |
O5—C6—C7 | 119.7 (5) | C57—C60—H60B | 109.5 |
O6—C6—C7 | 118.1 (5) | H60A—C60—H60B | 109.5 |
C6—C7—C9 | 111.0 (5) | C57—C60—H60C | 109.5 |
C6—C7—C8 | 110.5 (5) | H60A—C60—H60C | 109.5 |
C9—C7—C8 | 112.0 (6) | H60B—C60—H60C | 109.5 |
C6—C7—C15 | 106.6 (5) | O30—C61—O29 | 123.6 (5) |
C9—C7—C15 | 109.1 (5) | O30—C61—C62 | 118.7 (5) |
C8—C7—C15 | 107.4 (5) | O29—C61—C62 | 117.6 (5) |
C7—C8—H8A | 109.5 | C64—C62—C63 | 108.7 (7) |
C7—C8—H8B | 109.5 | C64—C62—C61 | 108.0 (6) |
H8A—C8—H8B | 109.5 | C63—C62—C61 | 111.3 (6) |
C7—C8—H8C | 109.5 | C64—C62—C65 | 107.4 (9) |
H8A—C8—H8C | 109.5 | C63—C62—C65 | 111.9 (7) |
H8B—C8—H8C | 109.5 | C61—C62—C65 | 109.4 (7) |
C7—C9—H9A | 109.5 | C62—C63—H63A | 109.5 |
C7—C9—H9B | 109.5 | C62—C63—H63B | 109.5 |
H9A—C9—H9B | 109.5 | H63A—C63—H63B | 109.5 |
C7—C9—H9C | 109.5 | C62—C63—H63C | 109.5 |
H9A—C9—H9C | 109.5 | H63A—C63—H63C | 109.5 |
H9B—C9—H9C | 109.5 | H63B—C63—H63C | 109.5 |
C12—C10—H10A | 109.5 | C62—C64—H64A | 109.5 |
C12—C10—H10B | 109.5 | C62—C64—H64B | 109.5 |
H10A—C10—H10B | 109.5 | H64A—C64—H64B | 109.5 |
C12—C10—H10C | 109.5 | C62—C64—H64C | 109.5 |
H10A—C10—H10C | 109.5 | H64A—C64—H64C | 109.5 |
H10B—C10—H10C | 109.5 | H64B—C64—H64C | 109.5 |
O8—C11—O7 | 124.2 (5) | C62—C65—H65A | 109.5 |
O8—C11—C12 | 118.4 (5) | C62—C65—H65B | 109.5 |
O7—C11—C12 | 117.5 (5) | H65A—C65—H65B | 109.5 |
C11—C12—C10 | 106.8 (5) | C62—C65—H65C | 109.5 |
C11—C12—C14 | 111.0 (5) | H65A—C65—H65C | 109.5 |
C10—C12—C14 | 111.2 (6) | H65B—C65—H65C | 109.5 |
C11—C12—C13 | 109.5 (5) | O25—C66—O26 | 124.0 (5) |
C10—C12—C13 | 107.9 (5) | O25—C66—C67 | 120.4 (5) |
C14—C12—C13 | 110.3 (5) | O26—C66—C67 | 115.6 (5) |
C12—C13—H13A | 109.5 | C70—C67—C66 | 111.5 (5) |
C12—C13—H13B | 109.5 | C70—C67—C69 | 110.3 (7) |
H13A—C13—H13B | 109.5 | C66—C67—C69 | 110.0 (5) |
C12—C13—H13C | 109.5 | C70—C67—C68 | 110.3 (7) |
H13A—C13—H13C | 109.5 | C66—C67—C68 | 106.6 (5) |
H13B—C13—H13C | 109.5 | C69—C67—C68 | 108.0 (6) |
C12—C14—H14A | 109.5 | C67—C68—H68A | 109.5 |
C12—C14—H14B | 109.5 | C67—C68—H68B | 109.5 |
H14A—C14—H14B | 109.5 | H68A—C68—H68B | 109.5 |
C12—C14—H14C | 109.5 | C67—C68—H68C | 109.5 |
H14A—C14—H14C | 109.5 | H68A—C68—H68C | 109.5 |
H14B—C14—H14C | 109.5 | H68B—C68—H68C | 109.5 |
C7—C15—H15A | 109.5 | C67—C69—H69A | 109.5 |
C7—C15—H15B | 109.5 | C67—C69—H69B | 109.5 |
H15A—C15—H15B | 109.5 | H69A—C69—H69B | 109.5 |
C7—C15—H15C | 109.5 | C67—C69—H69C | 109.5 |
H15A—C15—H15C | 109.5 | H69A—C69—H69C | 109.5 |
H15B—C15—H15C | 109.5 | H69B—C69—H69C | 109.5 |
O9—C16—O10 | 121.7 (6) | C67—C70—H70A | 109.5 |
O9—C16—C17 | 123.3 (6) | C67—C70—H70B | 109.5 |
O10—C16—C17 | 114.8 (6) | H70A—C70—H70B | 109.5 |
C18—C17—C19 | 111.1 (6) | C67—C70—H70C | 109.5 |
C18—C17—C16 | 110.4 (5) | H70A—C70—H70C | 109.5 |
C19—C17—C16 | 105.1 (5) | H70B—C70—H70C | 109.5 |
O1—Mn1—Mn2—O2 | −179.5 (3) | O7—Mn4—O2—Mn2 | −20.18 (17) |
O13—Mn1—Mn2—O2 | 169.6 (3) | O5—Mn4—O2—Mn1 | −7.5 (2) |
O26—Mn1—Mn2—O2 | −9.9 (3) | O30—Mn4—O2—Mn1 | −111.9 (2) |
O20—Mn1—Mn2—O2 | 79.84 (19) | O28—Mn4—O2—Mn1 | 162.83 (19) |
O6—Mn1—Mn2—O2 | −98.9 (2) | O7—Mn4—O2—Mn1 | 81.85 (19) |
Mn3—Mn1—Mn2—O2 | 38.29 (16) | Mn2—Mn4—O2—Mn1 | 102.0 (2) |
Mn5—Mn1—Mn2—O2 | −140.92 (19) | O5—Mn4—O2—Mn3 | 118.61 (19) |
O2—Mn1—Mn2—O1 | 179.5 (3) | O30—Mn4—O2—Mn3 | 14.2 (2) |
O13—Mn1—Mn2—O1 | −10.9 (3) | O28—Mn4—O2—Mn3 | −71.09 (19) |
O26—Mn1—Mn2—O1 | 169.6 (3) | O7—Mn4—O2—Mn3 | −152.1 (2) |
O20—Mn1—Mn2—O1 | −100.6 (2) | Mn2—Mn4—O2—Mn3 | −131.9 (3) |
O6—Mn1—Mn2—O1 | 80.6 (2) | O5—Mn4—O3—C1 | −163.1 (6) |
Mn3—Mn1—Mn2—O1 | −142.19 (19) | O30—Mn4—O3—C1 | −59.0 (6) |
Mn5—Mn1—Mn2—O1 | 38.60 (16) | O28—Mn4—O3—C1 | 26.4 (6) |
O1—Mn1—Mn2—O27 | 168.2 (3) | O7—Mn4—O3—C1 | 106.7 (6) |
O2—Mn1—Mn2—O27 | −12.2 (3) | Mn2—Mn4—O3—C1 | 82.9 (6) |
O13—Mn1—Mn2—O27 | 157.3 (3) | O30—Mn4—O5—C6 | 132.8 (4) |
O26—Mn1—Mn2—O27 | −22.2 (4) | O2—Mn4—O5—C6 | 37.6 (4) |
O20—Mn1—Mn2—O27 | 67.6 (3) | O3—Mn4—O5—C6 | −141.3 (4) |
O6—Mn1—Mn2—O27 | −111.2 (3) | O28—Mn4—O5—C6 | −103.8 (7) |
Mn3—Mn1—Mn2—O27 | 26.0 (2) | O7—Mn4—O5—C6 | −41.6 (4) |
Mn5—Mn1—Mn2—O27 | −153.2 (3) | Mn2—Mn4—O5—C6 | 2.0 (4) |
O1—Mn1—Mn2—O15 | −10.8 (3) | O1—Mn1—O6—C6 | 143.8 (4) |
O2—Mn1—Mn2—O15 | 168.8 (3) | O2—Mn1—O6—C6 | 59.2 (4) |
O13—Mn1—Mn2—O15 | −21.7 (4) | O13—Mn1—O6—C6 | −121.1 (4) |
O26—Mn1—Mn2—O15 | 158.9 (3) | O26—Mn1—O6—C6 | −35.1 (4) |
O20—Mn1—Mn2—O15 | −111.4 (3) | Mn2—Mn1—O6—C6 | 101.1 (4) |
O6—Mn1—Mn2—O15 | 69.9 (3) | Mn3—Mn1—O6—C6 | 35.3 (5) |
Mn3—Mn1—Mn2—O15 | −152.9 (2) | Mn5—Mn1—O6—C6 | 162.1 (5) |
Mn5—Mn1—Mn2—O15 | 27.8 (2) | O1—Mn1—O6—Mn5 | −18.33 (15) |
O1—Mn1—Mn2—O21 | 79.39 (19) | O2—Mn1—O6—Mn5 | −102.90 (14) |
O2—Mn1—Mn2—O21 | −101.1 (2) | O13—Mn1—O6—Mn5 | 76.84 (15) |
O13—Mn1—Mn2—O21 | 68.5 (3) | O26—Mn1—O6—Mn5 | 162.80 (15) |
O26—Mn1—Mn2—O21 | −111.0 (3) | Mn2—Mn1—O6—Mn5 | −60.98 (11) |
O20—Mn1—Mn2—O21 | −21.24 (16) | Mn3—Mn1—O6—Mn5 | −126.74 (13) |
O6—Mn1—Mn2—O21 | 160.01 (15) | O8—Mn5—O6—C6 | −38.1 (6) |
Mn3—Mn1—Mn2—O21 | −62.80 (12) | O11—Mn5—O6—C6 | 156.8 (6) |
Mn5—Mn1—Mn2—O21 | 117.99 (13) | O1—Mn5—O6—C6 | −138.9 (6) |
O1—Mn1—Mn2—O7 | −99.7 (2) | O9—Mn5—O6—C6 | 44.6 (6) |
O2—Mn1—Mn2—O7 | 79.78 (19) | O14—Mn5—O6—C6 | 127.4 (6) |
O13—Mn1—Mn2—O7 | −110.7 (3) | Mn1—Mn5—O6—C6 | −154.8 (7) |
O26—Mn1—Mn2—O7 | 69.9 (3) | O8—Mn5—O6—Mn1 | 116.71 (15) |
O20—Mn1—Mn2—O7 | 159.63 (15) | O11—Mn5—O6—Mn1 | −48.3 (6) |
O6—Mn1—Mn2—O7 | −19.12 (16) | O1—Mn5—O6—Mn1 | 15.92 (13) |
Mn3—Mn1—Mn2—O7 | 118.07 (13) | O9—Mn5—O6—Mn1 | −160.56 (15) |
Mn5—Mn1—Mn2—O7 | −61.14 (12) | O14—Mn5—O6—Mn1 | −77.76 (14) |
O1—Mn1—Mn2—Mn4 | −141.36 (19) | O2—Mn2—O7—C11 | 140.6 (4) |
O2—Mn1—Mn2—Mn4 | 38.17 (15) | O1—Mn2—O7—C11 | 56.2 (4) |
O13—Mn1—Mn2—Mn4 | −152.3 (3) | O27—Mn2—O7—C11 | −122.5 (4) |
O26—Mn1—Mn2—Mn4 | 28.3 (2) | O15—Mn2—O7—C11 | −37.6 (4) |
O20—Mn1—Mn2—Mn4 | 118.01 (12) | Mn1—Mn2—O7—C11 | 98.4 (4) |
O6—Mn1—Mn2—Mn4 | −60.74 (12) | Mn4—Mn2—O7—C11 | 159.4 (4) |
Mn3—Mn1—Mn2—Mn4 | 76.45 (7) | Mn6—Mn2—O7—C11 | 30.6 (5) |
Mn5—Mn1—Mn2—Mn4 | −102.76 (8) | O2—Mn2—O7—Mn4 | −18.78 (15) |
O1—Mn1—Mn2—Mn6 | 37.82 (15) | O1—Mn2—O7—Mn4 | −103.16 (15) |
O2—Mn1—Mn2—Mn6 | −142.65 (19) | O27—Mn2—O7—Mn4 | 78.09 (14) |
O13—Mn1—Mn2—Mn6 | 26.9 (2) | O15—Mn2—O7—Mn4 | 163.02 (16) |
O26—Mn1—Mn2—Mn6 | −152.6 (2) | Mn1—Mn2—O7—Mn4 | −60.98 (12) |
O20—Mn1—Mn2—Mn6 | −62.81 (12) | Mn6—Mn2—O7—Mn4 | −128.81 (14) |
O6—Mn1—Mn2—Mn6 | 118.44 (12) | O5—Mn4—O7—C11 | −33.3 (6) |
Mn3—Mn1—Mn2—Mn6 | −104.37 (8) | O30—Mn4—O7—C11 | 166.9 (6) |
Mn5—Mn1—Mn2—Mn6 | 76.42 (6) | O2—Mn4—O7—C11 | −133.0 (6) |
O1—Mn1—Mn3—O22 | 15.6 (2) | O3—Mn4—O7—C11 | 51.0 (6) |
O2—Mn1—Mn3—O22 | 79.44 (19) | O28—Mn4—O7—C11 | 132.8 (6) |
O13—Mn1—Mn3—O22 | −96.3 (2) | Mn2—Mn4—O7—C11 | −149.2 (7) |
O26—Mn1—Mn3—O22 | −170.24 (17) | O5—Mn4—O7—Mn2 | 115.85 (15) |
O20—Mn1—Mn3—O22 | −72.16 (19) | O30—Mn4—O7—Mn2 | −44.0 (6) |
O6—Mn1—Mn3—O22 | 115.8 (2) | O2—Mn4—O7—Mn2 | 16.15 (14) |
Mn2—Mn1—Mn3—O22 | 41.50 (14) | O3—Mn4—O7—Mn2 | −159.88 (16) |
Mn5—Mn1—Mn3—O22 | 42.7 (2) | O28—Mn4—O7—Mn2 | −78.10 (15) |
O1—Mn1—Mn3—O25 | −178.28 (18) | O11—Mn5—O8—C11 | 136.8 (4) |
O2—Mn1—Mn3—O25 | −114.4 (2) | O1—Mn5—O8—C11 | 39.8 (5) |
O13—Mn1—Mn3—O25 | 69.8 (2) | O9—Mn5—O8—C11 | −137.5 (5) |
O26—Mn1—Mn3—O25 | −4.12 (16) | O14—Mn5—O8—C11 | −104.5 (7) |
O20—Mn1—Mn3—O25 | 93.96 (17) | O6—Mn5—O8—C11 | −38.7 (5) |
O6—Mn1—Mn3—O25 | −78.08 (19) | Mn1—Mn5—O8—C11 | 4.4 (5) |
Mn2—Mn1—Mn3—O25 | −152.38 (14) | O8—Mn5—O9—C16 | −161.3 (7) |
Mn5—Mn1—Mn3—O25 | −151.15 (19) | O11—Mn5—O9—C16 | −56.0 (7) |
O1—Mn1—Mn3—O2 | −63.8 (2) | O14—Mn5—O9—C16 | 27.3 (7) |
O13—Mn1—Mn3—O2 | −175.8 (2) | O6—Mn5—O9—C16 | 108.1 (7) |
O26—Mn1—Mn3—O2 | 110.3 (2) | Mn1—Mn5—O9—C16 | 85.8 (7) |
O20—Mn1—Mn3—O2 | −151.6 (2) | O8—Mn5—O11—C21 | −149.4 (5) |
O6—Mn1—Mn3—O2 | 36.4 (2) | O1—Mn5—O11—C21 | −47.0 (5) |
Mn2—Mn1—Mn3—O2 | −37.94 (16) | O9—Mn5—O11—C21 | 128.9 (5) |
Mn5—Mn1—Mn3—O2 | −36.7 (2) | O14—Mn5—O11—C21 | 44.4 (5) |
O1—Mn1—Mn3—O29 | −100.7 (2) | O6—Mn5—O11—C21 | 15.1 (9) |
O2—Mn1—Mn3—O29 | −36.8 (2) | Mn1—Mn5—O11—C21 | −23.9 (5) |
O13—Mn1—Mn3—O29 | 147.4 (2) | O16—Mn6—O12—C21 | 38.3 (5) |
O26—Mn1—Mn3—O29 | 73.48 (19) | O1—Mn6—O12—C21 | −53.3 (5) |
O20—Mn1—Mn3—O29 | 171.6 (2) | O19—Mn6—O12—C21 | −153.4 (4) |
O6—Mn1—Mn3—O29 | −0.5 (2) | O17—Mn6—O12—C21 | 124.8 (5) |
Mn2—Mn1—Mn3—O29 | −74.78 (16) | O21—Mn6—O12—C21 | 0.1 (10) |
Mn5—Mn1—Mn3—O29 | −73.5 (2) | Mn2—Mn6—O12—C21 | −31.4 (5) |
O1—Mn1—Mn3—O23 | 118.3 (3) | O1—Mn1—O13—C26 | 46.2 (5) |
O2—Mn1—Mn3—O23 | −177.9 (3) | O26—Mn1—O13—C26 | −126.7 (5) |
O13—Mn1—Mn3—O23 | 6.4 (3) | O20—Mn1—O13—C26 | 145.4 (5) |
O26—Mn1—Mn3—O23 | −67.6 (3) | O6—Mn1—O13—C26 | −39.4 (5) |
O20—Mn1—Mn3—O23 | 30.5 (3) | Mn2—Mn1—O13—C26 | 53.7 (6) |
O6—Mn1—Mn3—O23 | −141.5 (3) | Mn3—Mn1—O13—C26 | 162.7 (4) |
Mn2—Mn1—Mn3—O23 | 144.2 (3) | Mn5—Mn1—O13—C26 | 6.6 (5) |
Mn5—Mn1—Mn3—O23 | 145.4 (2) | O8—Mn5—O14—C26 | 122.4 (6) |
O1—Mn1—Mn3—O20 | 87.76 (19) | O11—Mn5—O14—C26 | −116.2 (4) |
O2—Mn1—Mn3—O20 | 151.6 (2) | O1—Mn5—O14—C26 | −22.6 (4) |
O13—Mn1—Mn3—O20 | −24.2 (2) | O9—Mn5—O14—C26 | 155.3 (5) |
O26—Mn1—Mn3—O20 | −98.08 (18) | O6—Mn5—O14—C26 | 55.3 (4) |
O6—Mn1—Mn3—O20 | −172.0 (2) | Mn1—Mn5—O14—C26 | 8.9 (4) |
Mn2—Mn1—Mn3—O20 | 113.66 (15) | O1—Mn2—O15—C31 | 41.7 (5) |
Mn5—Mn1—Mn3—O20 | 114.9 (2) | O27—Mn2—O15—C31 | −130.4 (5) |
O2—Mn2—Mn4—O5 | 79.7 (2) | O21—Mn2—O15—C31 | −42.8 (5) |
O1—Mn2—Mn4—O5 | 15.98 (18) | O7—Mn2—O15—C31 | 141.5 (5) |
O27—Mn2—Mn4—O5 | −168.98 (16) | Mn1—Mn2—O15—C31 | 48.9 (6) |
O15—Mn2—Mn4—O5 | −94.7 (2) | Mn4—Mn2—O15—C31 | 157.5 (4) |
O21—Mn2—Mn4—O5 | 116.1 (2) | Mn6—Mn2—O15—C31 | 2.4 (5) |
O7—Mn2—Mn4—O5 | −72.35 (18) | O1—Mn6—O16—C31 | −26.2 (5) |
Mn1—Mn2—Mn4—O5 | 41.87 (14) | O19—Mn6—O16—C31 | 119.2 (7) |
Mn6—Mn2—Mn4—O5 | 40.5 (2) | O12—Mn6—O16—C31 | −120.6 (5) |
O2—Mn2—Mn4—O30 | −40.8 (2) | O17—Mn6—O16—C31 | 153.6 (5) |
O1—Mn2—Mn4—O30 | −104.57 (19) | O21—Mn6—O16—C31 | 51.5 (5) |
O27—Mn2—Mn4—O30 | 70.46 (18) | Mn2—Mn6—O16—C31 | 6.5 (4) |
O15—Mn2—Mn4—O30 | 144.7 (2) | O16—Mn6—O17—C36 | 116.2 (7) |
O21—Mn2—Mn4—O30 | −4.5 (3) | O19—Mn6—O17—C36 | −71.4 (7) |
O7—Mn2—Mn4—O30 | 167.10 (19) | O12—Mn6—O17—C36 | 30.3 (7) |
Mn1—Mn2—Mn4—O30 | −78.68 (16) | O21—Mn6—O17—C36 | −160.3 (7) |
Mn6—Mn2—Mn4—O30 | −80.0 (2) | Mn2—Mn6—O17—C36 | 177.0 (6) |
O1—Mn2—Mn4—O2 | −63.74 (19) | O16—Mn6—O19—C41 | −106.4 (8) |
O27—Mn2—Mn4—O2 | 111.3 (2) | O1—Mn6—O19—C41 | 38.5 (5) |
O15—Mn2—Mn4—O2 | −174.4 (3) | O12—Mn6—O19—C41 | 135.0 (5) |
O21—Mn2—Mn4—O2 | 36.4 (2) | O17—Mn6—O19—C41 | −141.0 (5) |
O7—Mn2—Mn4—O2 | −152.1 (2) | O21—Mn6—O19—C41 | −39.3 (5) |
Mn1—Mn2—Mn4—O2 | −37.85 (16) | Mn2—Mn6—O19—C41 | 2.7 (5) |
Mn6—Mn2—Mn4—O2 | −39.18 (19) | O1—Mn1—O20—C41 | 60.8 (4) |
O2—Mn2—Mn4—O3 | −174.7 (3) | O2—Mn1—O20—C41 | 145.2 (4) |
O1—Mn2—Mn4—O3 | 121.6 (2) | O13—Mn1—O20—C41 | −34.0 (4) |
O27—Mn2—Mn4—O3 | −63.4 (3) | O26—Mn1—O20—C41 | −120.0 (4) |
O15—Mn2—Mn4—O3 | 10.9 (3) | Mn2—Mn1—O20—C41 | 103.8 (4) |
O21—Mn2—Mn4—O3 | −138.3 (3) | Mn3—Mn1—O20—C41 | 164.0 (4) |
O7—Mn2—Mn4—O3 | 33.3 (3) | Mn5—Mn1—O20—C41 | 38.2 (5) |
Mn1—Mn2—Mn4—O3 | 147.5 (2) | O1—Mn1—O20—Mn3 | −103.20 (16) |
Mn6—Mn2—Mn4—O3 | 146.1 (2) | O2—Mn1—O20—Mn3 | −18.79 (14) |
O2—Mn2—Mn4—O28 | −115.8 (2) | O13—Mn1—O20—Mn3 | 162.05 (16) |
O1—Mn2—Mn4—O28 | −179.56 (17) | O26—Mn1—O20—Mn3 | 76.05 (15) |
O27—Mn2—Mn4—O28 | −4.52 (15) | Mn2—Mn1—O20—Mn3 | −60.18 (12) |
O15—Mn2—Mn4—O28 | 69.7 (2) | Mn5—Mn1—O20—Mn3 | −125.79 (16) |
O21—Mn2—Mn4—O28 | −79.5 (2) | O22—Mn3—O20—C41 | −38.9 (6) |
O7—Mn2—Mn4—O28 | 92.11 (17) | O25—Mn3—O20—C41 | 127.3 (6) |
Mn1—Mn2—Mn4—O28 | −153.67 (13) | O2—Mn3—O20—C41 | −138.4 (6) |
Mn6—Mn2—Mn4—O28 | −155.0 (2) | O29—Mn3—O20—C41 | 171.2 (7) |
O2—Mn2—Mn4—O7 | 152.1 (2) | O23—Mn3—O20—C41 | 42.1 (6) |
O1—Mn2—Mn4—O7 | 88.3 (2) | Mn1—Mn3—O20—C41 | −155.0 (7) |
O27—Mn2—Mn4—O7 | −96.64 (18) | O22—Mn3—O20—Mn1 | 116.06 (15) |
O15—Mn2—Mn4—O7 | −22.4 (2) | O25—Mn3—O20—Mn1 | −77.66 (14) |
O21—Mn2—Mn4—O7 | −171.6 (3) | O2—Mn3—O20—Mn1 | 16.60 (13) |
Mn1—Mn2—Mn4—O7 | 114.22 (17) | O29—Mn3—O20—Mn1 | −33.8 (8) |
Mn6—Mn2—Mn4—O7 | 112.9 (2) | O23—Mn3—O20—Mn1 | −162.89 (15) |
O1—Mn1—Mn5—O8 | 80.3 (2) | O2—Mn2—O21—C46 | 62.2 (4) |
O2—Mn1—Mn5—O8 | 15.03 (19) | O1—Mn2—O21—C46 | 146.3 (4) |
O13—Mn1—Mn5—O8 | −170.35 (18) | O27—Mn2—O21—C46 | −34.2 (4) |
O26—Mn1—Mn5—O8 | −95.1 (2) | O15—Mn2—O21—C46 | −119.1 (4) |
O20—Mn1—Mn5—O8 | 114.5 (2) | Mn1—Mn2—O21—C46 | 104.8 (4) |
O6—Mn1—Mn5—O8 | −71.99 (19) | Mn4—Mn2—O21—C46 | 37.8 (5) |
Mn2—Mn1—Mn5—O8 | 40.93 (14) | Mn6—Mn2—O21—C46 | 165.9 (5) |
Mn3—Mn1—Mn5—O8 | 39.7 (2) | O2—Mn2—O21—Mn6 | −103.73 (17) |
O1—Mn1—Mn5—O11 | −42.8 (2) | O1—Mn2—O21—Mn6 | −19.62 (14) |
O2—Mn1—Mn5—O11 | −108.04 (19) | O27—Mn2—O21—Mn6 | 159.87 (15) |
O13—Mn1—Mn5—O11 | 66.58 (19) | O15—Mn2—O21—Mn6 | 75.02 (16) |
O26—Mn1—Mn5—O11 | 141.8 (2) | Mn1—Mn2—O21—Mn6 | −61.09 (12) |
O20—Mn1—Mn5—O11 | −8.6 (3) | Mn4—Mn2—O21—Mn6 | −128.06 (18) |
O6—Mn1—Mn5—O11 | 164.94 (19) | O16—Mn6—O21—C46 | 125.2 (6) |
Mn2—Mn1—Mn5—O11 | −82.14 (15) | O1—Mn6—O21—C46 | −141.6 (6) |
Mn3—Mn1—Mn5—O11 | −83.4 (2) | O19—Mn6—O21—C46 | −42.5 (6) |
O2—Mn1—Mn5—O1 | −65.25 (19) | O12—Mn6—O21—C46 | 163.5 (7) |
O13—Mn1—Mn5—O1 | 109.4 (2) | O17—Mn6—O21—C46 | 40.3 (7) |
O26—Mn1—Mn5—O1 | −175.4 (3) | Mn2—Mn6—O21—C46 | −159.0 (7) |
O20—Mn1—Mn5—O1 | 34.2 (2) | O16—Mn6—O21—Mn2 | −75.80 (15) |
O6—Mn1—Mn5—O1 | −152.3 (2) | O1—Mn6—O21—Mn2 | 17.37 (12) |
Mn2—Mn1—Mn5—O1 | −39.35 (16) | O19—Mn6—O21—Mn2 | 116.53 (15) |
Mn3—Mn1—Mn5—O1 | −40.58 (19) | O12—Mn6—O21—Mn2 | −37.5 (8) |
O1—Mn1—Mn5—O9 | −176.2 (3) | O17—Mn6—O21—Mn2 | −160.73 (16) |
O2—Mn1—Mn5—O9 | 118.5 (2) | O25—Mn3—O22—C46 | −106.6 (7) |
O13—Mn1—Mn5—O9 | −66.9 (3) | O2—Mn3—O22—C46 | 41.5 (4) |
O26—Mn1—Mn5—O9 | 8.3 (3) | O29—Mn3—O22—C46 | 136.3 (4) |
O20—Mn1—Mn5—O9 | −142.0 (3) | O23—Mn3—O22—C46 | −140.6 (4) |
O6—Mn1—Mn5—O9 | 31.5 (2) | O20—Mn3—O22—C46 | −37.3 (4) |
Mn2—Mn1—Mn5—O9 | 144.4 (2) | Mn1—Mn3—O22—C46 | 5.5 (4) |
Mn3—Mn1—Mn5—O9 | 143.2 (2) | O22—Mn3—O23—C51 | −65.8 (6) |
O1—Mn1—Mn5—O14 | −115.1 (2) | O25—Mn3—O23—C51 | 122.3 (6) |
O2—Mn1—Mn5—O14 | 179.66 (17) | O29—Mn3—O23—C51 | 34.7 (6) |
O13—Mn1—Mn5—O14 | −5.71 (16) | O20—Mn3—O23—C51 | −155.1 (6) |
O26—Mn1—Mn5—O14 | 69.5 (2) | Mn1—Mn3—O23—C51 | −177.0 (5) |
O20—Mn1—Mn5—O14 | −80.9 (2) | O22—Mn3—O25—C66 | 120.0 (7) |
O6—Mn1—Mn5—O14 | 92.65 (17) | O2—Mn3—O25—C66 | −28.6 (4) |
Mn2—Mn1—Mn5—O14 | −154.44 (13) | O29—Mn3—O25—C66 | −121.5 (4) |
Mn3—Mn1—Mn5—O14 | −155.67 (19) | O23—Mn3—O25—C66 | 153.6 (4) |
O1—Mn1—Mn5—O6 | 152.3 (2) | O20—Mn3—O25—C66 | 49.7 (4) |
O2—Mn1—Mn5—O6 | 87.02 (19) | Mn1—Mn3—O25—C66 | 3.9 (4) |
O13—Mn1—Mn5—O6 | −98.36 (18) | O2—Mn1—O26—C66 | 46.7 (5) |
O26—Mn1—Mn5—O6 | −23.1 (2) | O13—Mn1—O26—C66 | −126.3 (4) |
O20—Mn1—Mn5—O6 | −173.5 (3) | O20—Mn1—O26—C66 | −38.5 (4) |
Mn2—Mn1—Mn5—O6 | 112.92 (15) | O6—Mn1—O26—C66 | 144.6 (4) |
Mn3—Mn1—Mn5—O6 | 111.7 (2) | Mn2—Mn1—O26—C66 | 53.4 (5) |
O2—Mn2—Mn6—O16 | −176.7 (2) | Mn3—Mn1—O26—C66 | 7.3 (4) |
O1—Mn2—Mn6—O16 | −113.57 (19) | Mn5—Mn1—O26—C66 | 161.2 (4) |
O27—Mn2—Mn6—O16 | 69.5 (2) | O2—Mn2—O27—C56 | 44.7 (5) |
O15—Mn2—Mn6—O16 | −3.25 (16) | O15—Mn2—O27—C56 | −127.6 (5) |
O21—Mn2—Mn6—O16 | 96.16 (18) | O21—Mn2—O27—C56 | 143.7 (5) |
O7—Mn2—Mn6—O16 | −74.3 (2) | O7—Mn2—O27—C56 | −41.5 (5) |
Mn1—Mn2—Mn6—O16 | −151.19 (14) | Mn1—Mn2—O27—C56 | 53.1 (6) |
Mn4—Mn2—Mn6—O16 | −149.8 (2) | Mn4—Mn2—O27—C56 | 4.7 (4) |
O2—Mn2—Mn6—O1 | −63.1 (2) | Mn6—Mn2—O27—C56 | 162.6 (4) |
O27—Mn2—Mn6—O1 | −177.0 (2) | O5—Mn4—O28—C56 | 117.8 (6) |
O15—Mn2—Mn6—O1 | 110.3 (2) | O30—Mn4—O28—C56 | −116.7 (4) |
O21—Mn2—Mn6—O1 | −150.3 (2) | O2—Mn4—O28—C56 | −24.2 (4) |
O7—Mn2—Mn6—O1 | 39.2 (2) | O3—Mn4—O28—C56 | 155.3 (4) |
Mn1—Mn2—Mn6—O1 | −37.62 (15) | O7—Mn4—O28—C56 | 54.4 (4) |
Mn4—Mn2—Mn6—O1 | −36.3 (2) | Mn2—Mn4—O28—C56 | 7.5 (4) |
O2—Mn2—Mn6—O19 | 16.3 (2) | O22—Mn3—O29—C61 | −157.6 (4) |
O1—Mn2—Mn6—O19 | 79.41 (19) | O25—Mn3—O29—C61 | 35.4 (4) |
O27—Mn2—Mn6—O19 | −97.5 (2) | O2—Mn3—O29—C61 | −57.3 (4) |
O15—Mn2—Mn6—O19 | −170.27 (17) | O23—Mn3—O29—C61 | 122.5 (4) |
O21—Mn2—Mn6—O19 | −70.86 (18) | O20—Mn3—O29—C61 | −8.1 (10) |
O7—Mn2—Mn6—O19 | 118.7 (2) | Mn1—Mn3—O29—C61 | −36.6 (4) |
Mn1—Mn2—Mn6—O19 | 41.79 (14) | O5—Mn4—O30—C61 | −152.6 (5) |
Mn4—Mn2—Mn6—O19 | 43.1 (2) | O2—Mn4—O30—C61 | −51.8 (5) |
O2—Mn2—Mn6—O12 | −102.2 (2) | O3—Mn4—O30—C61 | 124.1 (5) |
O1—Mn2—Mn6—O12 | −39.1 (2) | O28—Mn4—O30—C61 | 40.5 (5) |
O27—Mn2—Mn6—O12 | 144.0 (2) | O7—Mn4—O30—C61 | 6.7 (8) |
O15—Mn2—Mn6—O12 | 71.2 (2) | Mn2—Mn4—O30—C61 | −29.4 (5) |
O21—Mn2—Mn6—O12 | 170.7 (2) | Mn4—O3—C1—O4 | −13.5 (10) |
O7—Mn2—Mn6—O12 | 0.2 (2) | Mn4—O3—C1—C2 | 164.9 (5) |
Mn1—Mn2—Mn6—O12 | −76.69 (16) | O3—C1—C2—C4 | 118.7 (8) |
Mn4—Mn2—Mn6—O12 | −75.4 (2) | O4—C1—C2—C4 | −62.8 (9) |
O2—Mn2—Mn6—O17 | 119.5 (2) | O3—C1—C2—C5 | −122.2 (10) |
O1—Mn2—Mn6—O17 | −177.4 (3) | O4—C1—C2—C5 | 56.3 (11) |
O27—Mn2—Mn6—O17 | 5.7 (3) | O3—C1—C2—C3 | 0.0 (11) |
O15—Mn2—Mn6—O17 | −67.1 (3) | O4—C1—C2—C3 | 178.5 (8) |
O21—Mn2—Mn6—O17 | 32.3 (3) | Mn4—O5—C6—O6 | −12.1 (7) |
O7—Mn2—Mn6—O17 | −138.1 (3) | Mn4—O5—C6—C7 | 167.0 (4) |
Mn1—Mn2—Mn6—O17 | 145.0 (2) | Mn1—O6—C6—O5 | −43.7 (7) |
Mn4—Mn2—Mn6—O17 | 146.3 (2) | Mn5—O6—C6—O5 | 105.1 (6) |
O2—Mn2—Mn6—O21 | 87.2 (2) | Mn1—O6—C6—C7 | 137.2 (4) |
O1—Mn2—Mn6—O21 | 150.3 (2) | Mn5—O6—C6—C7 | −74.0 (7) |
O27—Mn2—Mn6—O21 | −26.7 (2) | O5—C6—C7—C9 | 151.4 (5) |
O15—Mn2—Mn6—O21 | −99.42 (19) | O6—C6—C7—C9 | −29.5 (7) |
O7—Mn2—Mn6—O21 | −170.5 (2) | O5—C6—C7—C8 | 26.8 (7) |
Mn1—Mn2—Mn6—O21 | 112.65 (16) | O6—C6—C7—C8 | −154.0 (5) |
Mn4—Mn2—Mn6—O21 | 114.0 (2) | O5—C6—C7—C15 | −89.7 (6) |
O2—Mn1—O1—Mn2 | −0.32 (18) | O6—C6—C7—C15 | 89.4 (6) |
O13—Mn1—O1—Mn2 | 172.66 (18) | Mn5—O8—C11—O7 | −15.2 (8) |
O20—Mn1—O1—Mn2 | 84.21 (18) | Mn5—O8—C11—C12 | 165.3 (4) |
O6—Mn1—O1—Mn2 | −98.80 (17) | Mn2—O7—C11—O8 | −39.3 (7) |
Mn3—Mn1—O1—Mn2 | 37.11 (18) | Mn4—O7—C11—O8 | 103.4 (7) |
Mn5—Mn1—O1—Mn2 | −118.6 (2) | Mn2—O7—C11—C12 | 140.3 (4) |
O2—Mn1—O1—Mn5 | 118.28 (16) | Mn4—O7—C11—C12 | −77.1 (7) |
O13—Mn1—O1—Mn5 | −68.74 (18) | O8—C11—C12—C10 | −91.1 (6) |
O20—Mn1—O1—Mn5 | −157.19 (15) | O7—C11—C12—C10 | 89.3 (6) |
O6—Mn1—O1—Mn5 | 19.80 (16) | O8—C11—C12—C14 | 147.4 (6) |
Mn2—Mn1—O1—Mn5 | 118.6 (2) | O7—C11—C12—C14 | −32.1 (7) |
Mn3—Mn1—O1—Mn5 | 155.71 (12) | O8—C11—C12—C13 | 25.4 (7) |
O2—Mn1—O1—Mn6 | −106.17 (19) | O7—C11—C12—C13 | −154.1 (5) |
O13—Mn1—O1—Mn6 | 66.8 (2) | Mn5—O9—C16—O10 | −18.3 (11) |
O20—Mn1—O1—Mn6 | −21.6 (2) | Mn5—O9—C16—C17 | 168.1 (4) |
O6—Mn1—O1—Mn6 | 155.35 (19) | O9—C16—C17—C18 | −9.5 (9) |
Mn2—Mn1—O1—Mn6 | −105.8 (2) | O10—C16—C17—C18 | 176.5 (6) |
Mn3—Mn1—O1—Mn6 | −68.74 (19) | O9—C16—C17—C19 | 110.3 (8) |
Mn5—Mn1—O1—Mn6 | 135.6 (2) | O10—C16—C17—C19 | −63.7 (7) |
O2—Mn2—O1—Mn1 | 0.33 (18) | O9—C16—C17—C20 | −132.1 (7) |
O15—Mn2—O1—Mn1 | 172.55 (18) | O10—C16—C17—C20 | 53.9 (7) |
O21—Mn2—O1—Mn1 | −99.45 (17) | Mn5—O11—C21—O12 | 25.9 (9) |
O7—Mn2—O1—Mn1 | 85.91 (17) | Mn5—O11—C21—C22 | −155.9 (4) |
Mn4—Mn2—O1—Mn1 | 38.47 (17) | Mn6—O12—C21—O11 | 37.3 (8) |
Mn6—Mn2—O1—Mn1 | −120.4 (2) | Mn6—O12—C21—C22 | −141.0 (4) |
O2—Mn2—O1—Mn5 | −106.0 (2) | O11—C21—C22—C24 | 125.5 (6) |
O15—Mn2—O1—Mn5 | 66.2 (2) | O12—C21—C22—C24 | −56.1 (7) |
O21—Mn2—O1—Mn5 | 154.21 (19) | O11—C21—C22—C23 | 4.5 (8) |
O7—Mn2—O1—Mn5 | −20.4 (2) | O12—C21—C22—C23 | −177.1 (5) |
Mn1—Mn2—O1—Mn5 | −106.3 (2) | O11—C21—C22—C25 | −113.8 (6) |
Mn4—Mn2—O1—Mn5 | −67.88 (18) | O12—C21—C22—C25 | 64.5 (7) |
Mn6—Mn2—O1—Mn5 | 133.2 (2) | Mn5—O14—C26—O13 | −8.3 (8) |
O2—Mn2—O1—Mn6 | 120.75 (16) | Mn5—O14—C26—C27 | 170.7 (4) |
O15—Mn2—O1—Mn6 | −67.03 (18) | Mn1—O13—C26—O14 | −1.6 (9) |
O21—Mn2—O1—Mn6 | 20.97 (15) | Mn1—O13—C26—C27 | 179.4 (4) |
O7—Mn2—O1—Mn6 | −153.67 (13) | O14—C26—C27—C30 | 25.7 (9) |
Mn1—Mn2—O1—Mn6 | 120.4 (2) | O13—C26—C27—C30 | −155.3 (6) |
Mn4—Mn2—O1—Mn6 | 158.89 (10) | O14—C26—C27—C29 | 150.2 (5) |
O8—Mn5—O1—Mn1 | −109.53 (18) | O13—C26—C27—C29 | −30.7 (7) |
O11—Mn5—O1—Mn1 | 144.56 (17) | O14—C26—C27—C28 | −92.4 (6) |
O14—Mn5—O1—Mn1 | 61.35 (18) | O13—C26—C27—C28 | 86.7 (6) |
O6—Mn5—O1—Mn1 | −19.93 (16) | Mn6—O16—C31—O15 | −7.4 (8) |
O8—Mn5—O1—Mn2 | −7.8 (2) | Mn6—O16—C31—C32 | 173.7 (4) |
O11—Mn5—O1—Mn2 | −113.7 (2) | Mn2—O15—C31—O16 | 1.5 (8) |
O14—Mn5—O1—Mn2 | 163.06 (19) | Mn2—O15—C31—C32 | −179.5 (4) |
O6—Mn5—O1—Mn2 | 81.78 (18) | O16—C31—C32—C35 | 34.1 (7) |
Mn1—Mn5—O1—Mn2 | 101.7 (2) | O15—C31—C32—C35 | −144.9 (5) |
O8—Mn5—O1—Mn6 | 116.11 (19) | O16—C31—C32—C33 | 157.5 (5) |
O11—Mn5—O1—Mn6 | 10.20 (19) | O15—C31—C32—C33 | −21.6 (7) |
O14—Mn5—O1—Mn6 | −73.01 (19) | O16—C31—C32—C34 | −84.1 (6) |
O6—Mn5—O1—Mn6 | −154.29 (19) | O15—C31—C32—C34 | 96.9 (6) |
Mn1—Mn5—O1—Mn6 | −134.4 (3) | Mn6—O17—C36—O18 | −16.5 (12) |
O16—Mn6—O1—Mn1 | 164.7 (2) | Mn6—O17—C36—C37 | 159.6 (6) |
O19—Mn6—O1—Mn1 | −7.6 (2) | O17—C36—C37—C40 | −80.6 (11) |
O12—Mn6—O1—Mn1 | −109.6 (2) | O18—C36—C37—C40 | 95.8 (9) |
O21—Mn6—O1—Mn1 | 80.8 (2) | O17—C36—C37—C38 | 153.0 (9) |
Mn2—Mn6—O1—Mn1 | 101.9 (2) | O18—C36—C37—C38 | −30.7 (11) |
O16—Mn6—O1—Mn2 | 62.88 (17) | O17—C36—C37—C39 | 33.6 (11) |
O19—Mn6—O1—Mn2 | −109.50 (17) | O18—C36—C37—C39 | −150.1 (8) |
O12—Mn6—O1—Mn2 | 148.55 (16) | Mn6—O19—C41—O20 | −11.8 (8) |
O21—Mn6—O1—Mn2 | −21.05 (15) | Mn6—O19—C41—C42 | 167.0 (4) |
O16—Mn6—O1—Mn5 | −67.93 (19) | Mn1—O20—C41—O19 | −44.2 (7) |
O19—Mn6—O1—Mn5 | 119.69 (18) | Mn3—O20—C41—O19 | 105.9 (7) |
O12—Mn6—O1—Mn5 | 17.75 (19) | Mn1—O20—C41—C42 | 137.0 (4) |
O21—Mn6—O1—Mn5 | −151.85 (19) | Mn3—O20—C41—C42 | −72.9 (8) |
Mn2—Mn6—O1—Mn5 | −130.8 (2) | O19—C41—C42—C45 | 151.2 (6) |
O1—Mn2—O2—Mn1 | −0.32 (18) | O20—C41—C42—C45 | −29.9 (7) |
O27—Mn2—O2—Mn1 | 171.96 (18) | O19—C41—C42—C44 | −87.5 (6) |
O21—Mn2—O2—Mn1 | 83.42 (19) | O20—C41—C42—C44 | 91.4 (6) |
O7—Mn2—O2—Mn1 | −100.69 (17) | O19—C41—C42—C43 | 30.2 (7) |
Mn4—Mn2—O2—Mn1 | −120.6 (2) | O20—C41—C42—C43 | −150.9 (5) |
Mn6—Mn2—O2—Mn1 | 36.79 (18) | Mn3—O22—C46—O21 | −15.6 (7) |
O1—Mn2—O2—Mn3 | −106.1 (2) | Mn3—O22—C46—C47 | 161.2 (4) |
O27—Mn2—O2—Mn3 | 66.2 (2) | Mn2—O21—C46—O22 | −42.6 (7) |
O21—Mn2—O2—Mn3 | −22.4 (2) | Mn6—O21—C46—O22 | 112.0 (6) |
O7—Mn2—O2—Mn3 | 153.53 (19) | Mn2—O21—C46—C47 | 140.5 (4) |
Mn1—Mn2—O2—Mn3 | −105.8 (2) | Mn6—O21—C46—C47 | −64.8 (8) |
Mn4—Mn2—O2—Mn3 | 133.6 (2) | O22—C46—C47—C49 | −92.1 (6) |
Mn6—Mn2—O2—Mn3 | −69.0 (2) | O21—C46—C47—C49 | 84.9 (6) |
O1—Mn2—O2—Mn4 | 120.28 (16) | O22—C46—C47—C50 | 26.0 (7) |
O27—Mn2—O2—Mn4 | −67.44 (18) | O21—C46—C47—C50 | −157.0 (5) |
O21—Mn2—O2—Mn4 | −155.98 (15) | O22—C46—C47—C48 | 147.4 (5) |
O7—Mn2—O2—Mn4 | 19.91 (16) | O21—C46—C47—C48 | −35.7 (7) |
Mn1—Mn2—O2—Mn4 | 120.6 (2) | Mn3—O23—C51—O24 | −18.0 (11) |
Mn6—Mn2—O2—Mn4 | 157.39 (11) | Mn3—O23—C51—C52 | 165.7 (5) |
O1—Mn1—O2—Mn2 | 0.33 (18) | O23—C51—C52—C53 | −70.5 (10) |
O26—Mn1—O2—Mn2 | 173.14 (18) | O24—C51—C52—C53 | 112.9 (8) |
O20—Mn1—O2—Mn2 | −99.52 (17) | O23—C51—C52—C55 | 167.1 (8) |
O6—Mn1—O2—Mn2 | 85.26 (17) | O24—C51—C52—C55 | −9.5 (11) |
Mn3—Mn1—O2—Mn2 | −119.7 (2) | O23—C51—C52—C54 | 46.1 (10) |
Mn5—Mn1—O2—Mn2 | 38.20 (17) | O24—C51—C52—C54 | −130.5 (7) |
O1—Mn1—O2—Mn3 | 120.03 (17) | Mn2—O27—C56—O28 | −0.3 (8) |
O26—Mn1—O2—Mn3 | −67.15 (18) | Mn2—O27—C56—C57 | 175.9 (3) |
O20—Mn1—O2—Mn3 | 20.19 (15) | Mn4—O28—C56—O27 | −7.5 (7) |
O6—Mn1—O2—Mn3 | −155.03 (15) | Mn4—O28—C56—C57 | 176.4 (3) |
Mn2—Mn1—O2—Mn3 | 119.7 (2) | O27—C56—C57—C58 | −65.9 (7) |
Mn5—Mn1—O2—Mn3 | 157.91 (12) | O28—C56—C57—C58 | 110.5 (6) |
O1—Mn1—O2—Mn4 | −105.15 (19) | O27—C56—C57—C59 | 171.1 (5) |
O26—Mn1—O2—Mn4 | 67.7 (2) | O28—C56—C57—C59 | −12.5 (7) |
O20—Mn1—O2—Mn4 | 155.01 (18) | O27—C56—C57—C60 | 51.1 (7) |
O6—Mn1—O2—Mn4 | −20.2 (2) | O28—C56—C57—C60 | −132.5 (6) |
Mn2—Mn1—O2—Mn4 | −105.5 (2) | Mn4—O30—C61—O29 | 26.5 (8) |
Mn3—Mn1—O2—Mn4 | 134.8 (2) | Mn4—O30—C61—C62 | −152.6 (4) |
Mn5—Mn1—O2—Mn4 | −67.27 (17) | Mn3—O29—C61—O30 | 42.2 (7) |
O22—Mn3—O2—Mn2 | −7.9 (2) | Mn3—O29—C61—C62 | −138.7 (4) |
O25—Mn3—O2—Mn2 | 164.5 (2) | O30—C61—C62—C63 | 127.9 (7) |
O29—Mn3—O2—Mn2 | −108.0 (2) | O29—C61—C62—C63 | −51.2 (8) |
O20—Mn3—O2—Mn2 | 81.7 (2) | O30—C61—C62—C65 | 3.5 (11) |
Mn1—Mn3—O2—Mn2 | 102.0 (2) | O29—C61—C62—C65 | −175.6 (9) |
O22—Mn3—O2—Mn1 | −109.87 (17) | O30—C61—C62—C64 | −113.3 (8) |
O25—Mn3—O2—Mn1 | 62.47 (18) | O29—C61—C62—C64 | 67.6 (9) |
O29—Mn3—O2—Mn1 | 149.98 (17) | Mn3—O25—C66—O26 | −0.6 (7) |
O20—Mn3—O2—Mn1 | −20.27 (15) | Mn3—O25—C66—C67 | −179.6 (4) |
O22—Mn3—O2—Mn4 | 116.43 (19) | Mn1—O26—C66—O25 | −7.0 (8) |
O25—Mn3—O2—Mn4 | −71.2 (2) | Mn1—O26—C66—C67 | 172.1 (4) |
O29—Mn3—O2—Mn4 | 16.3 (2) | O25—C66—C67—C70 | 9.6 (9) |
O20—Mn3—O2—Mn4 | −153.97 (19) | O26—C66—C67—C70 | −169.4 (7) |
Mn1—Mn3—O2—Mn4 | −133.7 (3) | O25—C66—C67—C68 | −110.8 (6) |
O5—Mn4—O2—Mn2 | −109.49 (18) | O26—C66—C67—C68 | 70.2 (7) |
O30—Mn4—O2—Mn2 | 146.04 (18) | O25—C66—C67—C69 | 132.6 (6) |
O28—Mn4—O2—Mn2 | 60.80 (18) | O26—C66—C67—C69 | −46.5 (7) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O4—H4···O28 | 0.82 | 1.80 | 2.602 (6) | 164 |
O10—H10···O14 | 0.82 | 1.85 | 2.661 (6) | 168 |
O18—H18···O12 | 0.82 | 1.90 | 2.606 (6) | 144 |
O24—H24···O29 | 0.82 | 1.78 | 2.582 (6) | 166 |
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