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metal-organic compounds
The layer structure of the title compound, [Mn3(C2O4)3(C10H8N2)4]n, consists of undulating manganese(II) oxalate chains with terminal and bridging 4,4′-bipyridine ligands stacked alternately along the chains. The compound is isostructural with [Fe3(C2O4)3(C10H8N2)4], the structure of which has previously been described in detail [Zheng, Fang, Lii, Song, Xin, Fun, Chinnakali & Razak (1999). J. Chem. Soc. Dalton Trans. pp. 2311–2316].
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805011499/bt6644sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805011499/bt6644Isup2.hkl |
CCDC reference: 271821
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.002 Å
- R factor = 0.031
- wR factor = 0.094
- Data-to-parameter ratio = 15.1
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT369_ALERT_2_B Long C(sp2)-C(sp2) Bond C41 - C42 ... 1.57 Ang. PLAT369_ALERT_2_B Long C(sp2)-C(sp2) Bond C43 - C44 ... 1.57 Ang. PLAT369_ALERT_2_B Long C(sp2)-C(sp2) Bond C45 - C46 ... 1.57 Ang.
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 1 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 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: Atomic coordinates taken from the Fe analogue (Zheng et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
catena-Poly[tris(µ2-oxalato-κ4O,O':O''O''')bis(µ2-4,4'-bipyridyl-
κ2N,N')bis(4,4'-bipyridyl-κN)trimanganese(II)] top
Crystal data top
[Mn3(C2O4)3(C10H8N2)4] | F(000) = 2140 |
Mr = 1053.62 | Dx = 1.616 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 976 reflections |
a = 16.289 (2) Å | θ = 3.0–26.7° |
b = 16.220 (2) Å | µ = 0.94 mm−1 |
c = 16.452 (2) Å | T = 295 K |
β = 94.981 (2)° | Block, pale yellow |
V = 4330.1 (9) Å3 | 0.32 × 0.16 × 0.12 mm |
Z = 4 |
Data collection top
Bruker SMART APEX CCD area-detector diffractometer | 9421 independent reflections |
Radiation source: fine-focus sealed tube | 7912 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.022 |
φ and ω scans | θmax = 27.0°, θmin = 1.3° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −20→20 |
Tmin = 0.766, Tmax = 0.896 | k = −20→20 |
35776 measured reflections | l = −21→20 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.031 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.094 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0565P)2 + 0.9427P] where P = (Fo2 + 2Fc2)/3 |
9421 reflections | (Δ/σ)max = 0.001 |
622 parameters | Δρmax = 0.38 e Å−3 |
0 restraints | Δρmin = −0.29 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Mn1 | 0.78469 (2) | 0.22434 (1) | 0.46029 (2) | 0.02469 (7) | |
Mn2 | 0.74399 (1) | 0.55738 (1) | 0.50843 (1) | 0.02472 (7) | |
Mn3 | 0.72629 (1) | 0.89367 (1) | 0.52512 (1) | 0.02543 (7) | |
O1 | 0.7226 (1) | 0.3280 (1) | 0.4020 (1) | 0.0284 (2) | |
O2 | 0.7018 (1) | 0.4612 (1) | 0.4250 (1) | 0.0282 (2) | |
O3 | 0.8466 (1) | 0.3254 (1) | 0.5228 (1) | 0.0287 (2) | |
O4 | 0.8297 (1) | 0.4595 (1) | 0.5439 (1) | 0.0295 (2) | |
O5 | 0.6586 (1) | 0.6550 (1) | 0.4708 (1) | 0.0281 (2) | |
O6 | 0.6561 (1) | 0.7921 (1) | 0.4744 (1) | 0.0284 (2) | |
O7 | 0.7868 (1) | 0.6554 (1) | 0.5898 (1) | 0.0268 (2) | |
O8 | 0.7782 (1) | 0.7921 (1) | 0.5970 (1) | 0.0285 (2) | |
O9 | 0.6852 (1) | 0.9911 (1) | 0.4415 (1) | 0.0317 (3) | |
O10 | 0.7115 (1) | 1.1216 (1) | 0.4122 (1) | 0.0300 (3) | |
O11 | 0.8026 (1) | 0.9963 (1) | 0.5691 (1) | 0.0307 (3) | |
O12 | 0.8345 (1) | 1.1238 (1) | 0.5344 (1) | 0.0319 (3) | |
N1 | 0.6873 (1) | 0.2330 (1) | 0.5592 (1) | 0.0345 (3) | |
N2 | 0.3916 (1) | 0.2153 (1) | 0.8513 (1) | 0.0378 (3) | |
N3 | 0.8780 (1) | 0.1987 (1) | 0.3673 (1) | 0.0320 (3) | |
N4 | 1.1703 (1) | 0.1137 (1) | 0.0831 (1) | 0.0304 (3) | |
N5 | 0.6579 (1) | 0.5061 (1) | 0.6005 (1) | 0.0324 (3) | |
N6 | 0.3680 (1) | 0.4323 (1) | 0.8886 (1) | 0.0324 (3) | |
N7 | 0.8265 (1) | 0.8721 (1) | 0.4344 (1) | 0.0361 (3) | |
N8 | 1.1139 (1) | 0.9240 (1) | 0.1393 (1) | 0.0404 (4) | |
C1 | 0.6065 (1) | 0.2268 (1) | 0.5374 (1) | 0.0406 (4) | |
C2 | 0.5468 (1) | 0.2244 (1) | 0.5921 (1) | 0.0409 (5) | |
C3 | 0.5706 (1) | 0.2273 (1) | 0.6751 (1) | 0.0318 (4) | |
C4 | 0.6541 (1) | 0.2338 (1) | 0.6981 (1) | 0.0463 (5) | |
C5 | 0.7093 (1) | 0.2368 (1) | 0.6386 (1) | 0.0463 (5) | |
C6 | 0.5086 (1) | 0.2234 (1) | 0.7362 (1) | 0.0310 (4) | |
C7 | 0.5285 (1) | 0.1903 (1) | 0.8134 (1) | 0.0366 (4) | |
C8 | 0.4679 (1) | 0.1876 (1) | 0.8678 (1) | 0.0387 (4) | |
C9 | 0.3735 (1) | 0.2470 (1) | 0.7773 (1) | 0.0381 (4) | |
C10 | 0.4287 (1) | 0.2521 (1) | 0.7181 (1) | 0.0354 (4) | |
C11 | 0.8571 (1) | 0.1618 (1) | 0.2956 (1) | 0.0370 (4) | |
C12 | 0.9126 (1) | 0.1456 (1) | 0.2387 (1) | 0.0363 (4) | |
C13 | 0.9949 (1) | 0.1666 (1) | 0.2562 (1) | 0.0297 (3) | |
C14 | 1.0173 (1) | 0.2033 (1) | 0.3311 (1) | 0.0354 (4) | |
C15 | 0.9572 (1) | 0.2187 (1) | 0.3834 (1) | 0.0356 (4) | |
C16 | 1.0568 (1) | 0.1503 (1) | 0.1965 (1) | 0.0297 (3) | |
C17 | 1.0356 (1) | 0.1563 (1) | 0.1131 (1) | 0.0356 (4) | |
C18 | 1.0940 (1) | 0.1388 (1) | 0.0597 (1) | 0.0355 (4) | |
C19 | 1.1907 (1) | 0.1099 (1) | 0.1632 (1) | 0.0392 (4) | |
C20 | 1.1370 (1) | 0.1278 (1) | 0.2214 (1) | 0.0391 (4) | |
C21 | 0.5835 (1) | 0.4751 (1) | 0.5780 (1) | 0.0381 (4) | |
C22 | 0.5249 (1) | 0.4588 (1) | 0.6318 (1) | 0.0386 (4) | |
C23 | 0.5439 (1) | 0.4739 (1) | 0.7142 (1) | 0.0315 (4) | |
C24 | 0.6222 (1) | 0.5028 (1) | 0.7387 (1) | 0.0388 (4) | |
C25 | 0.6761 (1) | 0.5186 (1) | 0.6802 (1) | 0.0410 (4) | |
C26 | 0.4829 (1) | 0.4601 (1) | 0.7748 (1) | 0.0312 (4) | |
C27 | 0.5064 (1) | 0.4255 (1) | 0.8505 (1) | 0.0376 (4) | |
C28 | 0.4474 (1) | 0.4122 (1) | 0.9043 (1) | 0.0386 (4) | |
C29 | 0.3462 (1) | 0.4676 (1) | 0.8166 (1) | 0.0348 (4) | |
C30 | 0.4005 (1) | 0.4822 (1) | 0.7582 (1) | 0.0362 (4) | |
C31 | 0.8057 (1) | 0.8568 (1) | 0.3556 (1) | 0.0396 (4) | |
C32 | 0.8592 (1) | 0.8652 (1) | 0.2956 (1) | 0.0362 (4) | |
C33 | 0.9396 (1) | 0.8905 (1) | 0.3168 (1) | 0.0320 (4) | |
C34 | 0.9624 (1) | 0.9038 (1) | 0.3994 (1) | 0.0417 (5) | |
C35 | 0.9044 (1) | 0.8938 (1) | 0.4549 (1) | 0.0424 (5) | |
C36 | 0.9995 (1) | 0.9026 (1) | 0.2551 (1) | 0.0314 (4) | |
C37 | 1.0827 (1) | 0.8865 (1) | 0.2738 (1) | 0.0390 (4) | |
C38 | 1.1363 (1) | 0.8975 (1) | 0.2142 (1) | 0.0426 (4) | |
C39 | 1.0345 (1) | 0.9405 (1) | 0.1222 (1) | 0.0396 (4) | |
C40 | 0.9750 (1) | 0.9309 (1) | 0.1771 (1) | 0.0366 (4) | |
C41 | 0.7396 (1) | 0.3945 (1) | 0.4385 (1) | 0.0221 (3) | |
C42 | 0.8121 (1) | 0.3935 (1) | 0.5075 (1) | 0.0228 (3) | |
C43 | 0.6834 (1) | 0.7232 (1) | 0.4987 (1) | 0.0224 (3) | |
C44 | 0.7555 (1) | 0.7235 (1) | 0.5682 (1) | 0.0220 (3) | |
C45 | 0.7235 (1) | 1.0569 (1) | 0.4533 (1) | 0.0250 (3) | |
C46 | 0.7930 (1) | 1.0592 (1) | 0.5258 (1) | 0.0248 (3) | |
H1 | 0.5895 | 0.2238 | 0.4820 | 0.049* | |
H2 | 0.4914 | 0.2208 | 0.5736 | 0.049* | |
H4 | 0.6731 | 0.2362 | 0.7530 | 0.056* | |
H5 | 0.7651 | 0.2416 | 0.6554 | 0.056* | |
H7 | 0.5812 | 0.1705 | 0.8283 | 0.044* | |
H8 | 0.4817 | 0.1648 | 0.9190 | 0.046* | |
H9 | 0.3204 | 0.2668 | 0.7644 | 0.046* | |
H10 | 0.4126 | 0.2744 | 0.6672 | 0.043* | |
H11 | 0.8025 | 0.1462 | 0.2835 | 0.044* | |
H12 | 0.8950 | 0.1209 | 0.1892 | 0.044* | |
H14 | 1.0719 | 0.2174 | 0.3458 | 0.042* | |
H15 | 0.9729 | 0.2444 | 0.4328 | 0.043* | |
H17 | 0.9826 | 0.1719 | 0.0935 | 0.043* | |
H18 | 1.0793 | 0.1449 | 0.0041 | 0.043* | |
H19 | 1.2442 | 0.0944 | 0.1810 | 0.047* | |
H20 | 1.1545 | 0.1246 | 0.2766 | 0.047* | |
H21 | 0.5703 | 0.4639 | 0.5230 | 0.046* | |
H22 | 0.4735 | 0.4380 | 0.6129 | 0.046* | |
H24 | 0.6382 | 0.5114 | 0.7937 | 0.047* | |
H25 | 0.7281 | 0.5391 | 0.6974 | 0.049* | |
H27 | 0.5612 | 0.4116 | 0.8647 | 0.045* | |
H28 | 0.4637 | 0.3877 | 0.9542 | 0.046* | |
H29 | 0.2915 | 0.4833 | 0.8052 | 0.042* | |
H30 | 0.3823 | 0.5063 | 0.7086 | 0.043* | |
H31 | 0.7521 | 0.8395 | 0.3403 | 0.047* | |
H32 | 0.8416 | 0.8540 | 0.2415 | 0.043* | |
H34 | 1.0160 | 0.9192 | 0.4169 | 0.050* | |
H36 | 0.9206 | 0.9028 | 0.5098 | 0.051* | |
H37 | 1.1020 | 0.8686 | 0.3257 | 0.047* | |
H38 | 1.1917 | 0.8855 | 0.2274 | 0.051* | |
H39 | 1.0175 | 0.9596 | 0.0701 | 0.048* | |
H40 | 0.9201 | 0.9432 | 0.1619 | 0.044* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Mn1 | 0.0263 (1) | 0.0215 (1) | 0.0269 (1) | −0.0002 (1) | 0.0060 (1) | −0.0009 (1) |
Mn2 | 0.0276 (1) | 0.0214 (1) | 0.0260 (1) | 0.0003 (1) | 0.0068 (1) | 0.0001 (1) |
Mn3 | 0.0281 (1) | 0.0220 (1) | 0.0270 (1) | −0.0002 (1) | 0.0067 (1) | 0.0000 (1) |
O1 | 0.0302 (6) | 0.0267 (6) | 0.0274 (6) | −0.0011 (5) | −0.0022 (5) | −0.0040 (5) |
O2 | 0.0293 (6) | 0.0265 (6) | 0.0281 (6) | 0.0053 (5) | −0.0015 (5) | 0.0001 (5) |
O3 | 0.0268 (6) | 0.0247 (6) | 0.0335 (6) | 0.0026 (4) | −0.0040 (5) | −0.0002 (5) |
O4 | 0.0300 (6) | 0.0263 (6) | 0.0313 (6) | 0.0003 (5) | −0.0035 (5) | −0.0059 (5) |
O5 | 0.0276 (6) | 0.0245 (6) | 0.0314 (6) | −0.0009 (4) | −0.0026 (5) | −0.0037 (5) |
O6 | 0.0287 (6) | 0.0249 (6) | 0.0307 (6) | 0.0023 (5) | −0.0028 (5) | 0.0009 (5) |
O7 | 0.0292 (6) | 0.0250 (5) | 0.0258 (6) | 0.0044 (4) | −0.0006 (5) | 0.0012 (4) |
O8 | 0.0306 (6) | 0.0260 (6) | 0.0280 (6) | −0.0021 (5) | −0.0018 (5) | −0.0027 (5) |
O9 | 0.0341 (6) | 0.0272 (6) | 0.0325 (6) | −0.0064 (5) | −0.0053 (5) | 0.0021 (5) |
O10 | 0.0330 (6) | 0.0267 (6) | 0.0292 (6) | −0.0017 (5) | −0.0036 (5) | 0.0038 (5) |
O11 | 0.0350 (6) | 0.0270 (6) | 0.0290 (6) | −0.0022 (5) | −0.0038 (5) | 0.0044 (5) |
O12 | 0.0309 (6) | 0.0276 (6) | 0.0356 (6) | −0.0050 (5) | −0.0056 (5) | 0.0023 (5) |
N1 | 0.0286 (7) | 0.0449 (9) | 0.0310 (8) | −0.0015 (6) | 0.0081 (6) | −0.0016 (6) |
N2 | 0.0347 (8) | 0.0459 (9) | 0.0346 (8) | −0.0044 (7) | 0.0128 (7) | −0.0032 (7) |
N3 | 0.0310 (7) | 0.0351 (7) | 0.0311 (7) | 0.0029 (6) | 0.0099 (6) | −0.0026 (6) |
N4 | 0.0272 (7) | 0.0372 (8) | 0.0276 (7) | 0.0021 (6) | 0.0070 (6) | −0.0022 (6) |
N5 | 0.0300 (7) | 0.0390 (8) | 0.0294 (7) | −0.0027 (6) | 0.0090 (6) | 0.0029 (6) |
N6 | 0.0309 (7) | 0.0382 (8) | 0.0289 (7) | −0.0041 (6) | 0.0076 (6) | 0.0036 (6) |
N7 | 0.0319 (8) | 0.0447 (9) | 0.0329 (8) | 0.0026 (6) | 0.0098 (6) | 0.0003 (7) |
N8 | 0.0422 (9) | 0.0472 (9) | 0.0335 (8) | −0.0072 (7) | 0.0134 (7) | −0.0034 (7) |
C1 | 0.031 (1) | 0.065 (1) | 0.026 (1) | 0.001 (1) | 0.006 (1) | −0.003 (1) |
C2 | 0.025 (1) | 0.069 (1) | 0.029 (1) | −0.001 (1) | 0.003 (1) | −0.005 (1) |
C3 | 0.026 (1) | 0.043 (1) | 0.028 (1) | 0.000 (1) | 0.006 (1) | −0.002 (1) |
C4 | 0.028 (1) | 0.084 (2) | 0.027 (1) | −0.005 (1) | 0.002 (1) | −0.003 (1) |
C5 | 0.026 (1) | 0.080 (2) | 0.033 (1) | −0.006 (1) | 0.006 (1) | −0.005 (1) |
C6 | 0.025 (1) | 0.041 (1) | 0.028 (1) | −0.004 (1) | 0.006 (1) | −0.004 (1) |
C7 | 0.029 (1) | 0.049 (1) | 0.032 (1) | 0.003 (1) | 0.003 (1) | 0.0021 (8) |
C8 | 0.040 (1) | 0.048 (1) | 0.030 (1) | −0.001 (1) | 0.008 (1) | 0.0028 (8) |
C9 | 0.027 (1) | 0.051 (1) | 0.038 (1) | 0.003 (1) | 0.008 (1) | −0.006 (1) |
C10 | 0.029 (1) | 0.050 (1) | 0.028 (1) | 0.0017 (1) | 0.004 (1) | −0.001 (1) |
C11 | 0.026 (1) | 0.050 (1) | 0.036 (1) | −0.003 (1) | 0.0083 (1) | −0.005 (1) |
C12 | 0.030 (1) | 0.050 (1) | 0.029 (1) | −0.001 (1) | 0.005 (1) | −0.010 (1) |
C13 | 0.026 (1) | 0.036 (1) | 0.028 (1) | 0.004 (1) | 0.006 (1) | −0.002 (1) |
C14 | 0.026 (1) | 0.047 (1) | 0.033 (1) | 0.000 (1) | 0.005 (1) | −0.006 (1) |
C15 | 0.036 (1) | 0.042 (1) | 0.030 (1) | 0.000 (1) | 0.007 (1) | −0.009 (1) |
C16 | 0.027 (1) | 0.035 (1) | 0.028 (1) | 0.001 (1) | 0.006 (1) | −0.005 (1) |
C17 | 0.025 (1) | 0.052 (1) | 0.030 (1) | 0.006 (1) | 0.003 (1) | 0.001 (1) |
C18 | 0.032 (1) | 0.049 (1) | 0.026 (1) | 0.004 (1) | 0.004 (1) | −0.001 (1) |
C19 | 0.027 (1) | 0.060 (1) | 0.031 (1) | 0.012 (1) | 0.003 (1) | −0.005 (1) |
C20 | 0.032 (1) | 0.062 (1) | 0.024 (1) | 0.011 (1) | 0.001 (1) | −0.006 (1) |
C21 | 0.038 (1) | 0.051 (1) | 0.027 (1) | −0.007 (1) | 0.007 (1) | −0.001 (1) |
C22 | 0.031 (1) | 0.055 (1) | 0.031 (1) | −0.009 (1) | 0.005 (1) | −0.001 (1) |
C23 | 0.030 (1) | 0.038 (1) | 0.028 (1) | −0.004 (1) | 0.007 (1) | 0.006 (1) |
C24 | 0.035 (1) | 0.057 (1) | 0.025 (1) | −0.012 (1) | 0.004 (1) | 0.004 (1) |
C25 | 0.030 (1) | 0.061 (1) | 0.033 (1) | −0.015 (1) | 0.004 (1) | 0.005 (1) |
C26 | 0.028 (1) | 0.040 (1) | 0.026 (1) | −0.007 (1) | 0.006 (1) | 0.002 (1) |
C27 | 0.025 (1) | 0.056 (1) | 0.032 (1) | −0.003 (1) | 0.003 (1) | 0.010 (1) |
C28 | 0.033 (1) | 0.055 (1) | 0.029 (1) | −0.003 (1) | 0.005 (1) | 0.014 (1) |
C29 | 0.028 (1) | 0.045 (1) | 0.032 (1) | 0.001 (1) | 0.006 (1) | 0.006 (1) |
C30 | 0.033 (1) | 0.049 (1) | 0.027 (1) | −0.001 (1) | 0.003 (1) | 0.010 (1) |
C31 | 0.031 (1) | 0.051 (1) | 0.038 (1) | −0.004 (1) | 0.008 (1) | −0.006 (1) |
C32 | 0.031 (1) | 0.050 (1) | 0.028 (1) | −0.001 (1) | 0.004 (1) | −0.007 (1) |
C33 | 0.028 (1) | 0.042 (1) | 0.028 (1) | 0.004 (1) | 0.006 (1) | −0.001 (1) |
C34 | 0.026 (1) | 0.070 (1) | 0.030 (1) | 0.000 (1) | 0.004 (1) | −0.004 (1) |
C35 | 0.034 (1) | 0.068 (1) | 0.026 (1) | 0.007 (1) | 0.005 (1) | −0.003 (1) |
C36 | 0.030 (1) | 0.039 (1) | 0.027 (1) | −0.001 (1) | 0.007 (1) | −0.004 (1) |
C37 | 0.033 (1) | 0.059 (1) | 0.026 (1) | 0.003 (1) | 0.005 (1) | 0.001 (1) |
C38 | 0.031 (1) | 0.062 (1) | 0.036 (1) | 0.001 (1) | 0.009 (1) | −0.005 (1) |
C39 | 0.051 (1) | 0.042 (1) | 0.026 (1) | −0.005 (1) | 0.006 (1) | 0.003 (1) |
C40 | 0.033 (1) | 0.044 (1) | 0.033 (1) | 0.001 (1) | 0.002 (1) | 0.002 (1) |
C41 | 0.021 (1) | 0.026 (1) | 0.020 (1) | −0.001 (1) | 0.005 (1) | 0.001 (1) |
C42 | 0.020 (1) | 0.026 (1) | 0.023 (1) | −0.001 (1) | 0.004 (1) | 0.000 (1) |
C43 | 0.019 (1) | 0.027 (1) | 0.021 (1) | 0.001 (1) | 0.004 (1) | 0.001 (1) |
C44 | 0.021 (1) | 0.026 (1) | 0.020 (1) | 0.000 (1) | 0.005 (1) | 0.001 (1) |
C45 | 0.025 (1) | 0.027 (1) | 0.023 (1) | 0.001 (1) | 0.003 (1) | −0.002 (1) |
C46 | 0.024 (1) | 0.027 (1) | 0.024 (1) | 0.001 (1) | 0.002 (1) | −0.003 (1) |
Geometric parameters (Å, º) top
Mn1—O1 | 2.144 (1) | C14—C15 | 1.380 (2) |
Mn1—O3 | 2.139 (1) | C16—C20 | 1.384 (2) |
Mn1—O10i | 2.160 (1) | C16—C17 | 1.389 (2) |
Mn1—O12i | 2.151 (1) | C17—C18 | 1.381 (2) |
Mn1—N1 | 2.374 (1) | C19—C20 | 1.382 (2) |
Mn1—N3 | 2.286 (1) | C21—C22 | 1.382 (2) |
Mn2—O2 | 2.151 (1) | C22—C23 | 1.387 (2) |
Mn2—O4 | 2.160 (1) | C23—C24 | 1.385 (2) |
Mn2—O5 | 2.162 (1) | C23—C26 | 1.484 (2) |
Mn2—O7 | 2.155 (1) | C24—C25 | 1.382 (2) |
Mn2—N4ii | 2.328 (1) | C26—C27 | 1.390 (2) |
Mn2—N5 | 2.307 (1) | C26—C30 | 1.393 (2) |
Mn3—O6 | 2.133 (1) | C27—C28 | 1.379 (2) |
Mn3—O8 | 2.157 (1) | C29—C30 | 1.381 (2) |
Mn3—O9 | 2.163 (1) | C31—C32 | 1.379 (2) |
Mn3—O11 | 2.165 (1) | C32—C33 | 1.388 (2) |
Mn3—N6iii | 2.268 (1) | C33—C34 | 1.394 (2) |
Mn3—N7 | 2.332 (1) | C33—C36 | 1.482 (2) |
O1—C41 | 1.254 (2) | C34—C35 | 1.378 (2) |
O2—C41 | 1.254 (2) | C36—C37 | 1.388 (2) |
O3—C42 | 1.254 (2) | C36—C40 | 1.388 (2) |
O4—C42 | 1.249 (2) | C37—C38 | 1.379 (2) |
O5—C43 | 1.251 (2) | C39—C40 | 1.389 (2) |
O6—C43 | 1.255 (2) | C41—C42 | 1.566 (2) |
O7—C44 | 1.255 (2) | C43—C44 | 1.566 (2) |
O8—C44 | 1.253 (2) | C45—C46 | 1.572 (2) |
O9—C45 | 1.243 (2) | C1—H1 | 0.93 |
O10—C45 | 1.255 (2) | C2—H2 | 0.93 |
O11—C46 | 1.246 (2) | C4—H4 | 0.93 |
O12—C46 | 1.249 (2) | C5—H5 | 0.93 |
N1—C5 | 1.326 (2) | C7—H7 | 0.93 |
N1—C1 | 1.337 (2) | C8—H8 | 0.93 |
N2—C8 | 1.328 (2) | C9—H9 | 0.93 |
N2—C9 | 1.331 (2) | C10—H10 | 0.93 |
N3—C15 | 1.335 (2) | C11—H11 | 0.93 |
N3—C11 | 1.340 (2) | C12—H12 | 0.93 |
N4—C18 | 1.332 (2) | C14—H14 | 0.93 |
N4—C19 | 1.332 (2) | C15—H15 | 0.93 |
N5—C25 | 1.335 (2) | C17—H17 | 0.93 |
N5—C21 | 1.334 (2) | C18—H18 | 0.93 |
N6—C29 | 1.335 (2) | C19—H19 | 0.93 |
N6—C28 | 1.337 (2) | C20—H20 | 0.93 |
N7—C35 | 1.332 (2) | C21—H21 | 0.93 |
N7—C31 | 1.333 (2) | C22—H22 | 0.93 |
N8—C39 | 1.328 (2) | C24—H24 | 0.93 |
N8—C38 | 1.326 (2) | C25—H25 | 0.93 |
C1—C2 | 1.382 (2) | C27—H27 | 0.93 |
C2—C3 | 1.387 (2) | C28—H28 | 0.93 |
C3—C4 | 1.384 (2) | C29—H29 | 0.93 |
C3—C6 | 1.488 (2) | C30—H30 | 0.93 |
C4—C5 | 1.385 (3) | C31—H31 | 0.93 |
C6—C10 | 1.391 (2) | C32—H32 | 0.93 |
C6—C7 | 1.390 (2) | C34—H34 | 0.93 |
C7—C8 | 1.388 (2) | C35—H36 | 0.93 |
C9—C10 | 1.383 (2) | C37—H37 | 0.93 |
C11—C12 | 1.380 (2) | C38—H38 | 0.93 |
C12—C13 | 1.389 (2) | C39—H39 | 0.93 |
C13—C14 | 1.388 (2) | C40—H40 | 0.93 |
C13—C16 | 1.491 (2) | ||
O1—Mn1—O3 | 78.38 (4) | C22—C23—C26 | 121.6 (2) |
O1—Mn1—O10i | 102.53 (4) | C24—C23—C26 | 120.6 (2) |
O1—Mn1—O12i | 170.80 (5) | C25—C24—C23 | 119.0 (2) |
O1—Mn1—N1 | 86.73 (5) | N5—C25—C24 | 123.8 (2) |
O1—Mn1—N3 | 99.08 (5) | C27—C26—C30 | 117.7 (2) |
O3—Mn1—O10i | 171.66 (4) | C27—C26—C23 | 120.9 (2) |
O3—Mn1—O12i | 99.76 (4) | C30—C26—C23 | 121.4 (2) |
O3—Mn1—N1 | 86.58 (5) | C28—C27—C26 | 119.0 (2) |
O3—Mn1—N3 | 98.51 (5) | N6—C28—C27 | 123.7 (2) |
O10i—Mn1—O12i | 78.00 (4) | N6—C29—C30 | 123.6 (2) |
O10i—Mn1—N1 | 85.20 (5) | C29—C30—C26 | 119.0 (2) |
O10i—Mn1—N3 | 89.57 (5) | N7—C31—C32 | 123.6 (2) |
O12i—Mn1—N1 | 84.16 (5) | C31—C32—C33 | 119.4 (2) |
O12i—Mn1—N3 | 90.10 (5) | C32—C33—C34 | 117.1 (2) |
N1—Mn1—N3 | 172.92 (5) | C32—C33—C36 | 122.0 (2) |
O2—Mn2—O4 | 78.60 (4) | C34—C33—C36 | 120.8 (2) |
O2—Mn2—O5 | 100.77 (4) | C35—C34—C33 | 119.2 (2) |
O2—Mn2—O7 | 178.76 (4) | C37—C36—C40 | 117.7 (2) |
O2—Mn2—N4ii | 92.75 (5) | C37—C36—C33 | 120.8 (2) |
O2—Mn2—N5 | 88.78 (5) | C40—C36—C33 | 121.6 (2) |
O4—Mn2—O5 | 179.04 (4) | N7—C35—C34 | 123.7 (2) |
O4—Mn2—O7 | 101.97 (4) | C38—C37—C36 | 118.9 (2) |
O4—Mn2—N4ii | 93.06 (5) | N8—C38—C37 | 124.3 (2) |
O4—Mn2—N5 | 88.43 (5) | N8—C39—C40 | 124.2 (2) |
O5—Mn2—O7 | 78.65 (4) | C39—C40—C36 | 118.5 (2) |
O5—Mn2—N4ii | 86.25 (5) | O2—C41—O1 | 125.0 (1) |
O5—Mn2—N5 | 92.28 (5) | O2—C41—C42 | 117.7 (1) |
O7—Mn2—N4ii | 86.12 (5) | O1—C41—C42 | 117.3 (1) |
O7—Mn2—N5 | 92.34 (5) | O4—C42—O3 | 125.4 (1) |
N4ii—Mn2—N5 | 178.05 (5) | O4—C42—C41 | 117.8 (1) |
O6—Mn3—O8 | 78.22 (4) | O3—C42—C41 | 116.8 (1) |
O6—Mn3—O9 | 100.94 (4) | O5—C43—O6 | 125.2 (1) |
O6—Mn3—O11 | 175.91 (5) | O5—C43—C44 | 117.9 (1) |
O6—Mn3—N6iii | 95.13 (5) | O6—C43—C44 | 116.9 (1) |
O6—Mn3—N7 | 90.83 (5) | O8—C44—O7 | 125.1 (1) |
O8—Mn3—O9 | 172.57 (5) | O8—C44—C43 | 117.2 (1) |
O8—Mn3—O11 | 102.57 (4) | O7—C44—C43 | 117.7 (1) |
O8—Mn3—N6iii | 97.03 (5) | O9—C45—O10 | 125.5 (1) |
O8—Mn3—N7 | 88.49 (5) | O9—C45—C46 | 117.2 (1) |
O9—Mn3—O11 | 77.76 (4) | O10—C45—C46 | 117.2 (1) |
O9—Mn3—N6iii | 90.39 (5) | O11—C46—O12 | 125.7 (1) |
O9—Mn3—N7 | 84.13 (5) | O11—C46—C45 | 117.5 (1) |
O11—Mn3—N6iii | 88.77 (5) | O12—C46—C45 | 116.9 (1) |
O11—Mn3—N7 | 85.18 (5) | N1—C1—H1 | 118.0 |
N6iii—Mn3—N7 | 172.58 (5) | C2—C1—H1 | 118.0 |
C41—O1—Mn1 | 112.6 (1) | C1—C2—H2 | 120.4 |
C41—O2—Mn2 | 112.9 (1) | C3—C2—H2 | 120.4 |
C42—O3—Mn1 | 113.2 (1) | C3—C4—H4 | 120.3 |
C42—O4—Mn2 | 112.7 (1) | C5—C4—H4 | 120.3 |
C43—O5—Mn2 | 111.3 (1) | N1—C5—H5 | 118.0 |
C43—O6—Mn3 | 113.6 (1) | C4—C5—H5 | 118.0 |
C44—O7—Mn2 | 111.8 (1) | C8—C7—H7 | 120.7 |
C44—O8—Mn3 | 112.5 (1) | C6—C7—H7 | 120.7 |
C45—O9—Mn3 | 113.9 (1) | N2—C8—H8 | 117.9 |
C45—O10—Mn1iv | 113.1 (1) | C7—C8—H8 | 117.9 |
C46—O11—Mn3 | 113.5 (1) | N2—C9—H9 | 117.9 |
C46—O12—Mn1iv | 113.5 (1) | C10—C9—H9 | 117.9 |
C5—N1—C1 | 116.3 (2) | C9—C10—H10 | 120.6 |
C5—N1—Mn1 | 122.6 (1) | C6—C10—H10 | 120.6 |
C1—N1—Mn1 | 120.8 (1) | N3—C11—H11 | 118.3 |
C8—N2—C9 | 116.5 (1) | C12—C11—H11 | 118.3 |
C15—N3—C11 | 116.7 (1) | C11—C12—H12 | 120.4 |
C15—N3—Mn1 | 120.7 (1) | C13—C12—H12 | 120.4 |
C11—N3—Mn1 | 122.6 (1) | C15—C14—H14 | 120.5 |
C18—N4—C19 | 116.6 (1) | C13—C14—H14 | 120.5 |
C18—N4—Mn2v | 121.9 (1) | N3—C15—H15 | 118.0 |
C19—N4—Mn2v | 120.6 (1) | C14—C15—H15 | 118.0 |
C25—N5—C21 | 116.7 (1) | C18—C17—H17 | 120.4 |
C25—N5—Mn2 | 119.7 (1) | C16—C17—H17 | 120.4 |
C21—N5—Mn2 | 122.9 (1) | N4—C18—H18 | 118.1 |
C29—N6—C28 | 117.0 (1) | C17—C18—H18 | 118.1 |
C29—N6—Mn3vi | 122.1 (1) | N4—C19—H19 | 118.1 |
C28—N6—Mn3vi | 120.5 (1) | C20—C19—H19 | 118.1 |
C35—N7—C31 | 116.9 (2) | C19—C20—H20 | 120.4 |
C35—N7—Mn3 | 120.1 (1) | C16—C20—H20 | 120.4 |
C31—N7—Mn3 | 121.1 (1) | N5—C21—H21 | 118.1 |
C39—N8—C38 | 116.5 (2) | C22—C21—H21 | 118.1 |
N1—C1—C2 | 123.9 (2) | C21—C22—H22 | 120.5 |
C1—C2—C3 | 119.2 (2) | C23—C22—H22 | 120.5 |
C4—C3—C2 | 117.2 (2) | C25—C24—H24 | 120.5 |
C4—C3—C6 | 121.8 (2) | C23—C24—H24 | 120.5 |
C2—C3—C6 | 121.1 (2) | N5—C25—H25 | 118.1 |
C3—C4—C5 | 119.4 (2) | C24—C25—H25 | 118.1 |
N1—C5—C4 | 123.9 (2) | C28—C27—H27 | 120.5 |
C10—C6—C7 | 117.6 (2) | C26—C27—H27 | 120.5 |
C10—C6—C3 | 121.2 (2) | N6—C28—H28 | 118.1 |
C7—C6—C3 | 121.1 (2) | C27—C28—H28 | 118.1 |
C8—C7—C6 | 118.6 (2) | N6—C29—H29 | 118.2 |
N2—C8—C7 | 124.2 (2) | C30—C29—H29 | 118.2 |
N2—C9—C10 | 124.1 (2) | C29—C30—H30 | 120.5 |
C9—C10—C6 | 118.9 (2) | C26—C30—H30 | 120.5 |
N3—C11—C12 | 123.4 (2) | N7—C31—H31 | 118.2 |
C11—C12—C13 | 119.3 (2) | C32—C31—H31 | 118.2 |
C14—C13—C12 | 117.6 (2) | C31—C32—H32 | 120.3 |
C14—C13—C16 | 121.3 (2) | C33—C32—H32 | 120.3 |
C12—C13—C16 | 121.1 (2) | C35—C34—H34 | 120.4 |
C15—C14—C13 | 119.0 (2) | C33—C34—H34 | 120.4 |
N3—C15—C14 | 123.9 (2) | N7—C35—H36 | 118.1 |
C20—C16—C17 | 117.2 (2) | C34—C35—H36 | 118.1 |
C20—C16—C13 | 121.8 (2) | C38—C37—H37 | 120.6 |
C17—C16—C13 | 120.9 (2) | C36—C37—H37 | 120.6 |
C18—C17—C16 | 119.3 (2) | N8—C38—H38 | 117.9 |
N4—C18—C17 | 123.7 (2) | C37—C38—H38 | 117.9 |
N4—C19—C20 | 123.8 (2) | N8—C39—H39 | 117.9 |
C19—C20—C16 | 119.3 (2) | C40—C39—H39 | 117.9 |
N5—C21—C22 | 123.8 (2) | C39—C40—H40 | 120.7 |
C21—C22—C23 | 118.9 (2) | C36—C40—H40 | 120.7 |
C22—C23—C24 | 117.8 (2) | ||
O3—Mn1—O1—C41 | −11.3 (1) | C16—C13—C14—C15 | 178.6 (2) |
O10i—Mn1—O1—C41 | 160.2 (1) | C11—N3—C15—C14 | −0.1 (3) |
N3—Mn1—O1—C41 | −108.2 (1) | Mn1—N3—C15—C14 | 178.4 (1) |
N1—Mn1—O1—C41 | 75.9 (1) | C13—C14—C15—N3 | 1.4 (3) |
O4—Mn2—O2—C41 | 5.1 (1) | C14—C13—C16—C20 | 35.4 (3) |
O5—Mn2—O2—C41 | −175.7 (1) | C12—C13—C16—C20 | −144.7 (2) |
N5—Mn2—O2—C41 | −83.6 (1) | C14—C13—C16—C17 | −145.4 (2) |
N4ii—Mn2—O2—C41 | 97.6 (1) | C12—C13—C16—C17 | 34.5 (3) |
O1—Mn1—O3—C42 | 10.3 (1) | C20—C16—C17—C18 | 0.8 (3) |
O12i—Mn1—O3—C42 | −160.5 (1) | C13—C16—C17—C18 | −178.4 (2) |
N3—Mn1—O3—C42 | 107.9 (1) | C19—N4—C18—C17 | −3.5 (3) |
N1—Mn1—O3—C42 | −77.1 (1) | Mn2v—N4—C18—C17 | 166.0 (1) |
O2—Mn2—O4—C42 | −6.0 (1) | C16—C17—C18—N4 | 2.1 (3) |
O7—Mn2—O4—C42 | 175.1 (1) | C18—N4—C19—C20 | 2.2 (3) |
N5—Mn2—O4—C42 | 83.1 (1) | Mn2v—N4—C19—C20 | −167.5 (2) |
N4ii—Mn2—O4—C42 | −98.2 (1) | N4—C19—C20—C16 | 0.6 (3) |
O2—Mn2—O5—C43 | −164.6 (1) | C17—C16—C20—C19 | −2.0 (3) |
O7—Mn2—O5—C43 | 14.3 (1) | C13—C16—C20—C19 | 177.2 (2) |
N5—Mn2—O5—C43 | 106.2 (1) | C25—N5—C21—C22 | 2.5 (3) |
N4ii—Mn2—O5—C43 | −72.5 (1) | Mn2—N5—C21—C22 | −167.1 (2) |
O8—Mn3—O6—C43 | −9.9 (1) | N5—C21—C22—C23 | −1.0 (3) |
O9—Mn3—O6—C43 | 162.6 (1) | C21—C22—C23—C24 | −1.7 (3) |
N6iii—Mn3—O6—C43 | −106.0 (1) | C21—C22—C23—C26 | 178.1 (2) |
N7—Mn3—O6—C43 | 78.4 (1) | C22—C23—C24—C25 | 2.8 (3) |
O4—Mn2—O7—C44 | 166.5 (1) | C26—C23—C24—C25 | −177.0 (2) |
O5—Mn2—O7—C44 | −12.7 (1) | C21—N5—C25—C24 | −1.3 (3) |
N5—Mn2—O7—C44 | −104.6 (1) | Mn2—N5—C25—C24 | 168.7 (2) |
N4ii—Mn2—O7—C44 | 74.2 (1) | C23—C24—C25—N5 | −1.4 (3) |
O6—Mn3—O8—C44 | 11.6 (1) | C22—C23—C26—C27 | 139.7 (2) |
O11—Mn3—O8—C44 | −164.3 (1) | C24—C23—C26—C27 | −40.5 (3) |
N6iii—Mn3—O8—C44 | 105.4 (1) | C22—C23—C26—C30 | −41.1 (3) |
N7—Mn3—O8—C44 | −79.6 (1) | C24—C23—C26—C30 | 138.7 (2) |
O6—Mn3—O9—C45 | −173.4 (1) | C30—C26—C27—C28 | 2.2 (3) |
O11—Mn3—O9—C45 | 2.7 (1) | C23—C26—C27—C28 | −178.6 (2) |
N6iii—Mn3—O9—C45 | 91.3 (1) | C29—N6—C28—C27 | −0.3 (3) |
N7—Mn3—O9—C45 | −83.7 (1) | Mn3vi—N6—C28—C27 | 172.6 (2) |
O8—Mn3—O11—C46 | 168.0 (1) | C26—C27—C28—N6 | −1.6 (3) |
O9—Mn3—O11—C46 | −4.4 (1) | C28—N6—C29—C30 | 1.5 (3) |
N6iii—Mn3—O11—C46 | −95.1 (1) | Mn3vi—N6—C29—C30 | −171.3 (1) |
N7—Mn3—O11—C46 | 80.6 (1) | N6—C29—C30—C26 | −0.8 (3) |
O3—Mn1—N1—C5 | −49.0 (2) | C27—C26—C30—C29 | −1.1 (3) |
O1—Mn1—N1—C5 | −127.5 (2) | C23—C26—C30—C29 | 179.8 (2) |
O12i—Mn1—N1—C5 | 51.2 (2) | C35—N7—C31—C32 | −2.4 (3) |
O10i—Mn1—N1—C5 | 129.6 (2) | Mn3—N7—C31—C32 | 162.1 (2) |
O3—Mn1—N1—C1 | 137.2 (1) | N7—C31—C32—C33 | 0.3 (3) |
O1—Mn1—N1—C1 | 58.7 (1) | C31—C32—C33—C34 | 1.9 (3) |
O12i—Mn1—N1—C1 | −122.6 (1) | C31—C32—C33—C36 | −178.5 (2) |
O10i—Mn1—N1—C1 | −44.2 (1) | C32—C33—C34—C35 | −2.0 (3) |
O3—Mn1—N3—C15 | 26.1 (1) | C36—C33—C34—C35 | 178.5 (2) |
O1—Mn1—N3—C15 | 105.6 (1) | C32—C33—C36—C37 | −146.9 (2) |
O12i—Mn1—N3—C15 | −73.8 (1) | C34—C33—C36—C37 | 32.7 (3) |
O10i—Mn1—N3—C15 | −151.8 (1) | C32—C33—C36—C40 | 33.6 (3) |
O3—Mn1—N3—C11 | −155.5 (1) | C34—C33—C36—C40 | −146.9 (2) |
O1—Mn1—N3—C11 | −76.0 (1) | C31—N7—C35—C34 | 2.3 (3) |
O12i—Mn1—N3—C11 | 104.6 (1) | Mn3—N7—C35—C34 | −162.3 (2) |
O10i—Mn1—N3—C11 | 26.6 (1) | C33—C34—C35—N7 | −0.2 (3) |
O2—Mn2—N5—C25 | 153.7 (1) | C40—C36—C37—C38 | −1.4 (3) |
O7—Mn2—N5—C25 | −26.8 (1) | C33—C36—C37—C38 | 179.1 (2) |
O4—Mn2—N5—C25 | 75.1 (1) | C39—N8—C38—C37 | −0.1 (3) |
O5—Mn2—N5—C25 | −105.6 (1) | C36—C37—C38—N8 | 1.1 (3) |
O2—Mn2—N5—C21 | −37.0 (1) | C38—N8—C39—C40 | −0.6 (3) |
O7—Mn2—N5—C21 | 142.4 (1) | N8—C39—C40—C36 | 0.2 (3) |
O4—Mn2—N5—C21 | −115.7 (1) | C37—C36—C40—C39 | 0.8 (3) |
O5—Mn2—N5—C21 | 63.7 (1) | C33—C36—C40—C39 | −179.7 (2) |
O6—Mn3—N7—C35 | −151.9 (2) | Mn2—O2—C41—O1 | 174.9 (1) |
O8—Mn3—N7—C35 | −73.7 (2) | Mn2—O2—C41—C42 | −3.7 (2) |
O9—Mn3—N7—C35 | 107.2 (2) | Mn1—O1—C41—O2 | −167.8 (1) |
O11—Mn3—N7—C35 | 29.1 (1) | Mn1—O1—C41—C42 | 10.8 (2) |
O6—Mn3—N7—C31 | 44.2 (1) | Mn2—O4—C42—O3 | −172.3 (1) |
O8—Mn3—N7—C31 | 122.4 (1) | Mn2—O4—C42—C41 | 6.0 (2) |
O9—Mn3—N7—C31 | −56.7 (1) | Mn1—O3—C42—O4 | 170.2 (1) |
O11—Mn3—N7—C31 | −134.9 (2) | Mn1—O3—C42—C41 | −8.1 (2) |
C5—N1—C1—C2 | 0.2 (3) | O2—C41—C42—O4 | −1.7 (2) |
Mn1—N1—C1—C2 | 174.4 (2) | O1—C41—C42—O4 | 179.6 (1) |
N1—C1—C2—C3 | −1.0 (3) | O2—C41—C42—O3 | 176.7 (1) |
C1—C2—C3—C4 | 0.9 (3) | O1—C41—C42—O3 | −1.9 (2) |
C1—C2—C3—C6 | −178.9 (2) | Mn2—O5—C43—O6 | 164.9 (1) |
C2—C3—C4—C5 | −0.2 (3) | Mn2—O5—C43—C44 | −13.7 (2) |
C6—C3—C4—C5 | 179.6 (2) | Mn3—O6—C43—O5 | −171.5 (1) |
C1—N1—C5—C4 | 0.6 (3) | Mn3—O6—C43—C44 | 7.2 (2) |
Mn1—N1—C5—C4 | −173.5 (2) | Mn3—O8—C44—O7 | 167.5 (1) |
C3—C4—C5—N1 | −0.6 (4) | Mn3—O8—C44—C43 | −11.5 (2) |
C4—C3—C6—C10 | 151.7 (2) | Mn2—O7—C44—O8 | −169.2 (1) |
C2—C3—C6—C10 | −28.6 (3) | Mn2—O7—C44—C43 | 9.8 (2) |
C4—C3—C6—C7 | −28.7 (3) | O5—C43—C44—O8 | −178.1 (1) |
C2—C3—C6—C7 | 151.1 (2) | O6—C43—C44—O8 | 3.2 (2) |
C10—C6—C7—C8 | 0.2 (3) | O5—C43—C44—O7 | 2.9 (2) |
C3—C6—C7—C8 | −179.4 (2) | O6—C43—C44—O7 | −175.9 (1) |
C9—N2—C8—C7 | 0.5 (3) | Mn3—O9—C45—O10 | 179.2 (1) |
C6—C7—C8—N2 | −0.7 (3) | Mn3—O9—C45—C46 | −0.9 (2) |
C8—N2—C9—C10 | 0.1 (3) | Mn1iv—O10—C45—O9 | 175.0 (1) |
N2—C9—C10—C6 | −0.6 (3) | Mn1iv—O10—C45—C46 | −5.0 (2) |
C7—C6—C10—C9 | 0.3 (3) | Mn3—O11—C46—O12 | −173.7 (1) |
C3—C6—C10—C9 | 180.0 (2) | Mn3—O11—C46—C45 | 5.4 (2) |
C15—N3—C11—C12 | −1.4 (3) | Mn1iv—O12—C46—O11 | −170.1 (1) |
Mn1—N3—C11—C12 | −179.8 (1) | Mn1iv—O12—C46—C45 | 10.8 (2) |
N3—C11—C12—C13 | 1.4 (3) | O9—C45—C46—O11 | −3.2 (2) |
C11—C12—C13—C14 | 0.0 (3) | O10—C45—C46—O11 | 176.8 (1) |
C11—C12—C13—C16 | −179.9 (2) | O9—C45—C46—O12 | 176.0 (1) |
C12—C13—C14—C15 | −1.3 (3) | O10—C45—C46—O12 | −4.1 (2) |
Symmetry codes: (i) x, y−1, z; (ii) −x+2, y+1/2, −z+1/2; (iii) −x+1, y+1/2, −z+3/2; (iv) x, y+1, z; (v) −x+2, y−1/2, −z+1/2; (vi) −x+1, y−1/2, −z+3/2. |
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