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metal-organic compounds
The centrosymmetric crystal structure pentapotassium dicitrato(4-)manganate(III) pentahydrate, K5[Mn(C6H4O7)2]·5H2O, has two independent anions, both of which lie at inversion centers in the triclinic unit cell. The Mn atoms are O,O',O''-chelated by the citrate entity and the six O atoms surrounding each Mn atom constitute an octahedron. The K atoms interact with the anions and the water molecules, leading to the formation of a network structure that also features extensive hydrogen bonding.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803016271/bt6312sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803016271/bt6312Isup2.hkl |
CCDC reference: 221655
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.007 Å
- R factor = 0.062
- wR factor = 0.161
- Data-to-parameter ratio = 12.4
checkCIF results
No syntax errors found ADDSYM reports no extra symmetry
Alert Level B:
PLAT_420 Alert B D-H Without Acceptor O1W - H1W1 ... ? PLAT_420 Alert B D-H Without Acceptor O4W - H4W2 ... ?
Alert Level C:
PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 179 O4W -K4 -O13 -C12 66.00 1.50 1.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 186 O4W -K4 -O13 -K3 -52.00 1.00 1.555 1.555 1.555 2.667 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 193 O4W -K4 -O13 -K4 -139.00 1.00 1.555 1.555 1.555 2.667 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 200 O4W -K4 -O13 -K3 45.00 1.00 1.555 1.555 1.555 1.655 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 215 O13 -K4 -O4W -K5 -8.00 1.00 1.555 1.555 1.555 1.655
0 Alert Level A = Potentially serious problem
2 Alert Level B = Potential problem
5 Alert Level C = Please check
Computing details top
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
Pentapotassium dicitrato(4-)manganate(III) pentahydrate top
Crystal data top
K5[Mn(C6H4O7)2]·5H2O | Z = 2 |
Mr = 716.70 | F(000) = 724 |
Triclinic, P1 | Dx = 1.984 Mg m−3 |
a = 6.8304 (4) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 9.2270 (5) Å | Cell parameters from 3636 reflections |
c = 20.197 (1) Å | θ = 2.3–28.3° |
α = 78.294 (1)° | µ = 1.51 mm−1 |
β = 82.734 (1)° | T = 298 K |
γ = 74.892 (1)° | Plate, brown |
V = 1199.7 (1) Å3 | 0.19 × 0.19 × 0.04 mm |
Data collection top
Bruker APEX area-detector diffractometer | 4168 independent reflections |
Radiation source: fine-focus sealed tube | 3444 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.024 |
φ and ω scans | θmax = 25.0°, θmin = 1.0° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −8→8 |
Tmin = 0.711, Tmax = 0.942 | k = −10→8 |
7084 measured reflections | l = −24→22 |
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)] = 0.062 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.161 | H-atom parameters constrained |
S = 1.15 | w = 1/[σ2(Fo2) + (0.0736P)2 + 0.8327P] where P = (Fo2 + 2Fc2)/3 |
4168 reflections | (Δ/σ)max = 0.001 |
337 parameters | Δρmax = 0.68 e Å−3 |
0 restraints | Δρmin = −0.53 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Mn1 | 0.5000 | 0.5000 | 0.5000 | 0.0125 (3) | |
Mn2 | 0.5000 | 1.0000 | 1.0000 | 0.0128 (3) | |
K1 | 0.0148 (2) | 0.2456 (1) | 0.48527 (6) | 0.0246 (3) | |
K2 | 0.6141 (2) | 0.1263 (1) | 0.41473 (6) | 0.0299 (3) | |
K3 | 0.0223 (2) | 0.7351 (1) | 0.99095 (6) | 0.0230 (3) | |
K4 | 0.6042 (2) | 0.6350 (1) | 0.91827 (6) | 0.0248 (3) | |
K5 | −0.0623 (2) | 0.7180 (2) | 0.74286 (7) | 0.0339 (4) | |
O1 | 0.3467 (5) | 0.3396 (4) | 0.5165 (2) | 0.020 (1) | |
O2 | 0.2684 (5) | 0.1699 (4) | 0.6034 (2) | 0.026 (1) | |
O3 | 0.3165 (5) | 0.5940 (4) | 0.5845 (2) | 0.019 (1) | |
O4 | 0.3129 (5) | 0.6274 (4) | 0.6901 (2) | 0.025 (1) | |
O5 | 0.6660 (4) | 0.3660 (4) | 0.5646 (2) | 0.016 (1) | |
O6 | 0.7124 (6) | 0.0267 (4) | 0.5438 (2) | 0.029 (1) | |
O7 | 0.9521 (6) | −0.0674 (5) | 0.6161 (2) | 0.037 (1) | |
O8 | 0.3637 (5) | 0.8303 (4) | 1.0157 (2) | 0.021 (1) | |
O9 | 0.2892 (5) | 0.6596 (4) | 1.1023 (2) | 0.024 (1) | |
O10 | 0.2946 (5) | 1.0862 (4) | 1.0850 (2) | 0.021 (1) | |
O11 | 0.1263 (5) | 1.0541 (4) | 1.1858 (2) | 0.030 (1) | |
O12 | 0.6667 (5) | 0.8751 (4) | 1.0664 (2) | 0.015 (1) | |
O13 | 0.7256 (6) | 0.5305 (4) | 1.0450 (2) | 0.029 (1) | |
O14 | 0.9684 (5) | 0.4361 (5) | 1.1155 (2) | 0.033 (1) | |
O1w | 0.1989 (8) | 0.4192 (6) | 0.3745 (2) | 0.057 (1) | |
O2w | 0.1306 (7) | 0.5843 (6) | 0.2419 (2) | 0.046 (1) | |
O3w | 0.2448 (6) | 0.8773 (5) | 0.8755 (2) | 0.035 (1) | |
O4w | 0.5237 (6) | 0.7440 (6) | 0.7708 (3) | 0.062 (2) | |
O5w | 0.1177 (8) | 0.1365 (6) | 0.7393 (2) | 0.057 (2) | |
C1 | 0.3738 (7) | 0.2580 (6) | 0.5757 (3) | 0.019 (1) | |
C2 | 0.5443 (7) | 0.2830 (6) | 0.6125 (2) | 0.015 (1) | |
C3 | 0.4487 (7) | 0.3755 (5) | 0.6692 (2) | 0.017 (1) | |
C4 | 0.3506 (7) | 0.5431 (6) | 0.6462 (2) | 0.016 (1) | |
C5 | 0.6788 (8) | 0.1327 (6) | 0.6445 (3) | 0.021 (1) | |
C6 | 0.7889 (7) | 0.0233 (6) | 0.5972 (3) | 0.020 (1) | |
C7 | 0.3925 (7) | 0.7478 (6) | 1.0758 (2) | 0.016 (1) | |
C8 | 0.5535 (7) | 0.7823 (6) | 1.1133 (2) | 0.016 (1) | |
C9 | 0.4351 (7) | 0.8705 (6) | 1.1688 (2) | 0.019 (1) | |
C10 | 0.2750 (7) | 1.0141 (6) | 1.1448 (3) | 0.017 (1) | |
C11 | 0.6965 (8) | 0.6359 (6) | 1.1459 (3) | 0.021 (1) | |
C12 | 0.8065 (7) | 0.5261 (6) | 1.0985 (2) | 0.019 (1) | |
H1w1 | 0.3011 | 0.3204 | 0.3824 | 0.068* | |
H1w2 | 0.2245 | 0.4787 | 0.4060 | 0.068* | |
H2w1 | 0.1969 | 0.5912 | 0.1959 | 0.055* | |
H2w2 | 0.1988 | 0.4830 | 0.2665 | 0.055* | |
H3w1 | 0.2531 | 0.9790 | 0.8782 | 0.042* | |
H3w2 | 0.2012 | 0.8738 | 0.8320 | 0.042* | |
H4w1 | 0.4724 | 0.6743 | 0.7512 | 0.074* | |
H4w2 | 0.4415 | 0.8472 | 0.7607 | 0.074* | |
H5w1 | 0.1787 | 0.1554 | 0.6929 | 0.069* | |
H5w2 | 0.0250 | 0.0716 | 0.7392 | 0.069* | |
H3a | 0.3466 | 0.3279 | 0.6961 | 0.020* | |
H3b | 0.5538 | 0.3680 | 0.6987 | 0.020* | |
H5a | 0.5954 | 0.0804 | 0.6786 | 0.025* | |
H5b | 0.7801 | 0.1553 | 0.6678 | 0.025* | |
H9a | 0.3691 | 0.8025 | 1.2017 | 0.023* | |
H9b | 0.5319 | 0.8982 | 1.1921 | 0.023* | |
H11a | 0.7978 | 0.6634 | 1.1673 | 0.025* | |
H11b | 0.6185 | 0.5823 | 1.1815 | 0.025* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Mn1 | 0.0131 (5) | 0.0116 (6) | 0.0125 (5) | −0.0013 (4) | −0.0029 (4) | −0.0020 (4) |
Mn2 | 0.0122 (5) | 0.0119 (6) | 0.0132 (6) | −0.0010 (4) | −0.0029 (4) | −0.0011 (4) |
K1 | 0.0187 (6) | 0.0269 (7) | 0.0289 (7) | −0.0025 (5) | −0.0027 (5) | −0.0100 (5) |
K2 | 0.0382 (7) | 0.0224 (7) | 0.0324 (7) | −0.0119 (6) | −0.0056 (6) | −0.0048 (6) |
K3 | 0.0177 (6) | 0.0223 (7) | 0.0287 (7) | −0.0018 (5) | −0.0018 (5) | −0.0080 (5) |
K4 | 0.0295 (6) | 0.0206 (7) | 0.0256 (7) | −0.0050 (5) | −0.0058 (5) | −0.0065 (5) |
K5 | 0.0281 (6) | 0.0319 (8) | 0.0409 (8) | −0.0026 (6) | 0.0050 (5) | −0.0153 (6) |
O1 | 0.022 (2) | 0.022 (2) | 0.017 (2) | −0.009 (2) | −0.006 (1) | −0.001 (2) |
O2 | 0.032 (2) | 0.025 (2) | 0.026 (2) | −0.017 (2) | −0.001 (2) | −0.002 (2) |
O3 | 0.021 (2) | 0.015 (2) | 0.018 (2) | 0.003 (2) | −0.004 (2) | −0.006 (2) |
O4 | 0.030 (2) | 0.023 (2) | 0.023 (2) | −0.001 (2) | −0.002 (2) | −0.013 (2) |
O5 | 0.012 (2) | 0.018 (2) | 0.016 (2) | −0.001 (1) | −0.004 (1) | 0.000 (2) |
O6 | 0.036 (2) | 0.025 (2) | 0.023 (2) | 0.004 (2) | −0.008 (2) | −0.010 (2) |
O7 | 0.028 (2) | 0.032 (3) | 0.045 (3) | 0.011 (2) | −0.011 (2) | −0.015 (2) |
O8 | 0.023 (2) | 0.020 (2) | 0.019 (2) | −0.007 (2) | −0.009 (2) | 0.002 (2) |
O9 | 0.028 (2) | 0.020 (2) | 0.026 (2) | −0.014 (2) | −0.001 (2) | 0.000 (2) |
O10 | 0.023 (2) | 0.013 (2) | 0.020 (2) | 0.001 (2) | 0.002 (2) | 0.002 (2) |
O11 | 0.024 (2) | 0.034 (3) | 0.024 (2) | 0.001 (2) | 0.004 (2) | −0.004 (2) |
O12 | 0.015 (2) | 0.016 (2) | 0.015 (2) | −0.002 (1) | −0.003 (1) | −0.002 (1) |
O13 | 0.031 (2) | 0.027 (2) | 0.025 (2) | 0.005 (2) | −0.003 (2) | −0.011 (2) |
O14 | 0.021 (2) | 0.031 (2) | 0.046 (3) | 0.007 (2) | −0.012 (2) | −0.015 (2) |
O1w | 0.070 (3) | 0.070 (4) | 0.046 (3) | −0.044 (3) | −0.009 (2) | −0.007 (3) |
O2w | 0.059 (3) | 0.058 (3) | 0.022 (2) | −0.023 (2) | −0.010 (2) | 0.003 (2) |
O3w | 0.038 (2) | 0.038 (3) | 0.029 (2) | −0.008 (2) | −0.010 (2) | −0.003 (2) |
O4w | 0.034 (3) | 0.077 (4) | 0.088 (4) | −0.009 (3) | −0.005 (3) | −0.051 (3) |
O5w | 0.067 (3) | 0.084 (4) | 0.031 (3) | −0.045 (3) | −0.002 (2) | −0.001 (3) |
C1 | 0.015 (2) | 0.018 (3) | 0.022 (3) | −0.001 (2) | 0.002 (2) | −0.008 (2) |
C2 | 0.019 (2) | 0.013 (3) | 0.013 (3) | −0.002 (2) | −0.001 (2) | −0.003 (2) |
C3 | 0.022 (2) | 0.011 (3) | 0.014 (3) | 0.000 (2) | −0.001 (2) | −0.001 (2) |
C4 | 0.008 (2) | 0.023 (3) | 0.018 (3) | −0.002 (2) | 0.000 (2) | −0.008 (2) |
C5 | 0.028 (3) | 0.016 (3) | 0.016 (3) | 0.001 (2) | −0.006 (2) | −0.002 (2) |
C6 | 0.020 (3) | 0.012 (3) | 0.024 (3) | −0.003 (2) | −0.002 (2) | 0.001 (2) |
C7 | 0.015 (2) | 0.008 (3) | 0.021 (3) | 0.005 (2) | −0.001 (2) | −0.007 (2) |
C8 | 0.018 (2) | 0.016 (3) | 0.012 (3) | −0.002 (2) | −0.001 (2) | −0.004 (2) |
C9 | 0.023 (3) | 0.023 (3) | 0.010 (3) | −0.006 (2) | 0.001 (2) | −0.003 (2) |
C10 | 0.014 (2) | 0.020 (3) | 0.022 (3) | −0.006 (2) | −0.002 (2) | −0.014 (2) |
C11 | 0.028 (3) | 0.014 (3) | 0.016 (3) | 0.001 (2) | −0.008 (2) | 0.003 (2) |
C12 | 0.021 (3) | 0.021 (3) | 0.015 (3) | −0.006 (2) | −0.001 (2) | 0.000 (2) |
Geometric parameters (Å, º) top
Mn1—O1 | 1.979 (3) | K5—O2wiii | 2.896 (5) |
Mn1—O1i | 1.979 (3) | K5—O4wiv | 2.770 (4) |
Mn1—O3 | 2.174 (3) | O1—C1 | 1.285 (6) |
Mn1—O3i | 2.174 (3) | O2—C1 | 1.228 (6) |
Mn1—O5 | 1.872 (3) | O3—C4 | 1.268 (6) |
Mn1—O5i | 1.872 (3) | O4—C4 | 1.255 (6) |
Mn2—O8 | 1.976 (3) | O5—C2 | 1.429 (6) |
Mn2—O8ii | 1.976 (3) | O6—C6 | 1.247 (6) |
Mn2—O10 | 2.216 (3) | O7—C6 | 1.257 (6) |
Mn2—O10ii | 2.216 (3) | O8—C7 | 1.303 (6) |
Mn2—O12 | 1.870 (3) | O9—C7 | 1.214 (6) |
Mn2—O12ii | 1.870 (3) | O10—C10 | 1.264 (6) |
K1—O1 | 2.811 (3) | O11—C10 | 1.254 (6) |
K1—O2 | 2.986 (4) | O12—C8 | 1.436 (6) |
K1—O3iii | 2.740 (3) | O13—C12 | 1.263 (6) |
K1—O5iv | 2.802 (3) | O14—C12 | 1.238 (6) |
K1—O6v | 2.830 (4) | C1—C2 | 1.545 (7) |
K1—O7v | 2.829 (4) | C2—C5 | 1.520 (7) |
K1—O1w | 2.835 (5) | C2—C3 | 1.544 (7) |
K2—O2v | 2.727 (4) | C3—C4 | 1.518 (7) |
K2—O3i | 2.747 (4) | C5—C6 | 1.521 (7) |
K2—O4i | 2.875 (4) | C7—C8 | 1.542 (7) |
K2—O7vi | 2.880 (4) | C8—C11 | 1.526 (7) |
K2—O6 | 2.691 (4) | C8—C9 | 1.540 (7) |
K2—O6v | 2.891 (4) | C9—C10 | 1.518 (7) |
K3—O8 | 2.829 (3) | C11—C12 | 1.524 (7) |
K3—O9 | 2.934 (4) | O1w—H1w1 | 0.99 |
K3—O10vii | 2.776 (3) | O1w—H1w2 | 0.98 |
K3—O12iv | 2.848 (3) | O2w—H2w1 | 0.98 |
K3—O13viii | 2.776 (4) | O2w—H2w2 | 0.99 |
K4—O13 | 2.700 (4) | O3w—H3w1 | 0.97 |
K3—O13iv | 3.076 (4) | O3w—H3w2 | 0.97 |
K3—O14viii | 2.900 (4) | O4w—H4w1 | 0.97 |
K3—O3w | 2.893 (4) | O4w—H4w2 | 0.97 |
K4—O8 | 2.983 (4) | O5w—H5w1 | 0.98 |
K4—O9viii | 2.727 (4) | O5w—H5w2 | 0.98 |
K4—O10ii | 2.819 (4) | C3—H3a | 0.97 |
K4—O13viii | 2.977 (4) | C3—H3b | 0.97 |
K4—O14ix | 2.846 (4) | C5—H5a | 0.97 |
K4—O3w | 2.944 (4) | C5—H5b | 0.97 |
K4—O4w | 3.016 (6) | C9—H9a | 0.97 |
K5—O4 | 2.637 (4) | C9—H9b | 0.97 |
K5—O7x | 2.909 (5) | C11—H11a | 0.97 |
K5—O11vii | 2.697 (4) | C11—H11b | 0.97 |
K5—O14viii | 2.993 (4) | ||
O1—Mn1—O1i | 180.0 (1) | C1—O2—K1 | 92.4 (3) |
O1—Mn1—O3 | 88.5 (1) | K2v—O2—K1 | 89.6 (1) |
O1—Mn1—O3i | 91.5 (1) | C4—O3—Mn1 | 124.0 (3) |
O1—Mn1—O5 | 84.2 (1) | C4—O3—K1iii | 136.1 (3) |
O1—Mn1—O5i | 95.8 (1) | Mn1—O3—K1iii | 97.0 (1) |
O1i—Mn1—O3 | 91.5 (1) | C4—O3—K2i | 94.2 (3) |
O1i—Mn1—O3i | 88.5 (1) | Mn1—O3—K2i | 108.9 (1) |
O1i—Mn1—O5 | 95.8 (1) | K1iii—O3—K2i | 85.7 (1) |
O1i—Mn1—O5i | 84.2 (1) | C4—O4—K5 | 120.4 (3) |
O3—Mn1—O5 | 86.7 (1) | C4—O4—K2i | 88.6 (3) |
O3—Mn1—O3i | 180.0 (1) | K5—O4—K2i | 106.5 (1) |
O3—Mn1—O5i | 93.3 (1) | C2—O5—Mn1 | 108.8 (2) |
O3i—Mn1—O5 | 93.3 (1) | C2—O5—K1xi | 127.2 (3) |
O3i—Mn1—O5i | 86.7 (1) | Mn1—O5—K1xi | 102.8 (1) |
O5—Mn1—O5i | 180.0 (2) | C6—O6—K2 | 157.7 (3) |
O8—Mn2—O8ii | 180.0 (1) | C6—O6—K1v | 94.4 (3) |
O8—Mn2—O10 | 87.0 (1) | K2—O6—K1v | 93.7 (1) |
O8—Mn2—O10ii | 93.0 (1) | C6—O6—K2v | 105.4 (3) |
O8—Mn2—O12 | 84.2 (1) | K2—O6—K2v | 95.2 (1) |
O8—Mn2—O12ii | 95.8 (1) | K1v—O6—K2v | 91.6 (1) |
O8ii—Mn2—O10 | 93.0 (1) | C6—O6—K1xi | 80.7 (3) |
O8ii—Mn2—O10ii | 87.0 (1) | K2—O6—K1xi | 77.8 (1) |
O8ii—Mn2—O12 | 95.8 (1) | K1v—O6—K1xi | 96.1 (1) |
O8ii—Mn2—O12ii | 84.2 (1) | K2v—O6—K1xi | 169.9 (1) |
O10—Mn2—O10ii | 180.0 (1) | C6—O7—K1v | 94.2 (3) |
O10—Mn2—O12 | 86.3 (1) | C6—O7—K2vi | 141.5 (4) |
O10—Mn2—O12ii | 93.7 (1) | K1v—O7—K2vi | 81.6 (1) |
O10ii—Mn2—O12ii | 86.3 (1) | C6—O7—K5xii | 118.4 (3) |
O10ii—Mn2—O12 | 93.7 (1) | K1v—O7—K5xii | 104.2 (1) |
O12—Mn2—O12ii | 180.0 (2) | K2vi—O7—K5xii | 99.6 (1) |
O3iii—K1—O5iv | 64.3 (1) | C7—O8—Mn2 | 111.2 (3) |
O3iii—K1—O1 | 130.6 (1) | C7—O8—K3 | 97.6 (3) |
O5iv—K1—O1 | 109.4 (1) | Mn2—O8—K3 | 145.8 (2) |
O3iii—K1—O7v | 79.6 (1) | C7—O8—K4 | 105.6 (3) |
O5iv—K1—O7v | 128.1 (1) | Mn2—O8—K4 | 102.2 (1) |
O1—K1—O7v | 122.5 (1) | K3—O8—K4 | 86.8 (1) |
O3iii—K1—O6v | 125.7 (1) | C7—O9—K4viii | 120.5 (3) |
O1—K1—O6v | 88.8 (1) | C7—O9—K3 | 94.8 (3) |
O7v—K1—O6v | 46.1 (1) | K4viii—O9—K3 | 88.5 (1) |
O3iii—K1—O1w | 78.8 (1) | C10—O10—Mn2 | 126.5 (3) |
O5iv—K1—O1w | 124.4 (1) | C10—O10—K3vii | 125.5 (3) |
O1—K1—O1w | 65.3 (1) | Mn2—O10—K3vii | 97.4 (1) |
O7v—K1—O1w | 79.4 (1) | C10—O10—K4ii | 112.2 (3) |
O6v—K1—O1w | 90.6 (1) | Mn2—O10—K4ii | 101.2 (1) |
O3iii—K1—O2 | 153.3 (1) | K3vii—O10—K4ii | 84.5 (1) |
O5iv—K1—O2 | 91.4 (1) | C10—O11—K5vii | 127.2 (3) |
O1—K1—O2 | 44.8 (1) | C8—O12—Mn2 | 109.7 (3) |
O7v—K1—O2 | 126.4 (1) | C8—O12—K3xi | 119.9 (3) |
O6v—K1—O2 | 80.4 (1) | Mn2—O12—K3xi | 104.1 (1) |
O1w—K1—O2 | 109.3 (1) | C12—O13—K4 | 158.6 (3) |
O2—K1—O6iv | 98.4 (1) | C12—O13—K3viii | 97.4 (3) |
O6—K2—O2v | 87.8 (1) | K4—O13—K3viii | 92.4 (1) |
O6—K2—O3i | 91.2 (1) | C12—O13—K4viii | 108.2 (3) |
O2v—K2—O3i | 153.4 (1) | K4—O13—K4viii | 91.1 (1) |
O6—K2—O4i | 134.4 (1) | K3viii—O13—K4viii | 87.9 (1) |
O2v—K2—O4i | 121.9 (1) | C12—O13—K3xi | 79.1 (3) |
O3i—K2—O4i | 46.3 (1) | K4—O13—K3xi | 81.0 (1) |
O6—K2—O7vi | 84.0 (1) | K3viii—O13—K3xi | 96.4 (1) |
O2v—K2—O7vi | 74.8 (1) | K4viii—O13—K3xi | 171.1 (1) |
O3i—K2—O7vi | 78.6 (1) | C12—O14—K4ix | 143.2 (4) |
O4i—K2—O7vi | 73.4 (1) | C12—O14—K3viii | 92.1 (3) |
O6—K2—O6v | 84.8 (1) | K4ix—O14—K3viii | 81.8 (1) |
O2v—K2—O6v | 68.5 (1) | C12—O14—K5viii | 125.9 (3) |
O3i—K2—O6v | 137.8 (1) | K4ix—O14—K5viii | 86.8 (1) |
O4i—K2—O6v | 135.8 (1) | K3viii—O14—K5viii | 122.0 (1) |
O7vi—K2—O6v | 142.0 (1) | C12—O14—K3xi | 65.4 (3) |
O13viii—K3—O10vii | 122.5 (1) | K4ix—O14—K3xi | 78.0 (1) |
O13viii—K3—O8 | 90.6 (1) | K3viii—O14—K3xi | 87.4 (1) |
O10vii—K3—O8 | 125.5 (1) | K5viii—O14—K3xi | 144.7 (1) |
O13viii—K3—O12iv | 148.2 (1) | K3—O3w—K4 | 86.4 (1) |
O10vii—K3—O12iv | 64.2 (1) | K5xi—O4w—K4 | 87.7 (1) |
O8—K3—O12iv | 110.7 (1) | O2—C1—O1 | 123.5 (5) |
O13viii—K3—O3w | 82.6 (1) | O2—C1—C2 | 121.2 (5) |
O10vii—K3—O3w | 79.1 (1) | O1—C1—C2 | 115.3 (4) |
O8—K3—O3w | 62.3 (1) | O5—C2—C5 | 109.2 (4) |
O12iv—K3—O3w | 127.9 (1) | O5—C2—C3 | 109.4 (4) |
O13viii—K3—O14viii | 45.7 (1) | C5—C2—C3 | 108.1 (4) |
O10vii—K3—O14viii | 76.9 (1) | O5—C2—C1 | 108.9 (4) |
O8—K3—O14viii | 122.7 (1) | C5—C2—C1 | 111.7 (4) |
O3w—K3—O14viii | 75.0 (1) | C3—C2—C1 | 109.5 (4) |
O13viii—K3—O9 | 82.6 (1) | C4—C3—C2 | 116.2 (4) |
O10vii—K3—O9 | 154.8 (1) | O4—C4—O3 | 122.6 (5) |
O8—K3—O9 | 45.0 (1) | O4—C4—C3 | 117.2 (4) |
O12iv—K3—O9 | 95.6 (1) | O3—C4—C3 | 120.2 (4) |
O3w—K3—O9 | 105.2 (1) | C2—C5—C6 | 116.9 (4) |
O14viii—K3—O9 | 128.3 (1) | O6—C6—O7 | 124.6 (5) |
O13viii—K3—O13iv | 83.6 (1) | O6—C6—C5 | 119.2 (4) |
O10vii—K3—O13iv | 84.4 (1) | O7—C6—C5 | 116.2 (4) |
O8—K3—O13iv | 146.5 (1) | O9—C7—O8 | 122.6 (4) |
O12iv—K3—O13iv | 65.5 (1) | O9—C7—C8 | 122.4 (4) |
O3w—K3—O13iv | 148.1 (1) | O8—C7—C8 | 114.7 (4) |
O9—K3—O13iv | 101.5 (1) | O12—C8—C11 | 110.3 (4) |
O8—K3—O14iv | 107.5 (1) | O12—C8—C9 | 110.2 (4) |
O9—K3—O14iv | 63.0 (1) | C11—C8—C9 | 109.6 (4) |
O13—K4—O9viii | 88.1 (1) | O12—C8—C7 | 109.2 (4) |
O13—K4—O10ii | 91.0 (1) | C11—C8—C7 | 111.4 (4) |
O9viii—K4—O10ii | 150.4 (1) | C9—C8—C7 | 106.2 (4) |
O13—K4—O14ix | 81.8 (1) | C10—C9—C8 | 115.9 (4) |
O9viii—K4—O14ix | 73.4 (1) | O11—C10—O10 | 123.0 (5) |
O10ii—K4—O14ix | 77.1 (1) | O11—C10—C9 | 117.4 (4) |
O13—K4—O3w | 127.7 (1) | O10—C10—C9 | 119.6 (4) |
O9viii—K4—O3w | 128.6 (1) | C12—C11—C8 | 116.0 (4) |
O10ii—K4—O3w | 73.7 (1) | O14—C12—O13 | 124.0 (5) |
O14ix—K4—O3w | 138.0 (1) | O14—C12—C11 | 117.7 (4) |
O13—K4—O13viii | 88.9 (1) | O13—C12—C11 | 118.2 (4) |
O9viii—K4—O13viii | 65.2 (1) | K1—O1w—H1w1 | 76.5 |
O10ii—K4—O13viii | 144.4 (1) | K1—O1w—H1w2 | 88.8 |
O14ix—K4—O13viii | 137.8 (1) | H1w1—O1w—H1w2 | 105.5 |
O3w—K4—O13viii | 78.4 (1) | K5iii—O2w—H2w1 | 98.3 |
O13—K4—O8 | 68.4 (1) | K5iii—O2w—H2w2 | 46.7 |
O9viii—K4—O8 | 141.6 (1) | H2w1—O2w—H2w2 | 105.4 |
O10ii—K4—O8 | 63.3 (1) | K3—O3w—H3w1 | 114.2 |
O14ix—K4—O8 | 128.7 (1) | K4—O3w—H3w1 | 114.5 |
O3w—K4—O8 | 60.0 (1) | K3—O3w—H3w2 | 113.9 |
O13viii—K4—O8 | 83.9 (1) | K4—O3w—H3w2 | 114.3 |
O13—K4—O4w | 172.9 (1) | H3w1—O3w—H3w2 | 111.5 |
O9viii—K4—O4w | 90.0 (1) | K5xi—O4w—H4w1 | 113.8 |
O10ii—K4—O4w | 87.4 (1) | K4—O4w—H4w1 | 113.9 |
O14ix—K4—O4w | 91.1 (1) | K5xi—O4w—H4w2 | 114.2 |
O3w—K4—O4w | 58.3 (1) | K4—O4w—H4w2 | 114.2 |
O13viii—K4—O4w | 96.4 (1) | H4w1—O4w—H4w2 | 111.2 |
O8—K4—O4w | 116.7 (1) | H5w1—O5w—H5w2 | 106.5 |
O4—K5—O11vii | 115.7 (1) | C4—C3—H3a | 108.2 |
O4—K5—O4wiv | 159.8 (1) | C2—C3—H3a | 108.2 |
O11vii—K5—O4wiv | 84.3 (1) | C4—C3—H3b | 108.2 |
O4—K5—O2wiii | 91.8 (1) | C2—C3—H3b | 108.2 |
O11vii—K5—O2wiii | 139.5 (1) | H3a—C3—H3b | 107.4 |
O4wiv—K5—O2wiii | 72.6 (1) | C2—C5—H5a | 108.1 |
O4—K5—O7x | 76.5 (1) | C6—C5—H5a | 108.1 |
O11vii—K5—O7x | 90.7 (1) | C2—C5—H5b | 108.1 |
O4wiv—K5—O7x | 102.0 (2) | C6—C5—H5b | 108.1 |
O2wiii—K5—O7x | 125.9 (1) | H5a—C5—H5b | 107.3 |
O4—K5—O14viii | 94.7 (1) | C10—C9—H9a | 108.3 |
O11vii—K5—O14viii | 74.7 (1) | C8—C9—H9a | 108.3 |
O4wiv—K5—O14viii | 93.1 (1) | C10—C9—H9b | 108.3 |
O2wiii—K5—O14viii | 73.9 (1) | C8—C9—H9b | 108.3 |
O7x—K5—O14viii | 157.9 (1) | H9a—C9—H9b | 107.4 |
O7x—K5—O1wiii | 71.9 (1) | C12—C11—H11a | 108.3 |
C1—O1—Mn1 | 110.6 (3) | C8—C11—H11a | 108.3 |
C1—O1—K1 | 99.4 (3) | C12—C11—H11b | 108.3 |
Mn1—O1—K1 | 147.2 (2) | C8—C11—H11b | 108.3 |
K1—O1—K2 | 85.7 (1) | H11a—C11—H11b | 107.4 |
C1—O2—K2v | 119.0 (3) | ||
O5i—Mn1—O1—C1 | −155.4 (3) | O10—Mn2—O12—C8 | 56.9 (3) |
O5—Mn1—O1—C1 | 24.6 (3) | O10ii—Mn2—O12—C8 | −123.1 (3) |
O3i—Mn1—O1—C1 | 117.8 (3) | O8—Mn2—O12—K3xi | 99.1 (1) |
O3—Mn1—O1—C1 | −62.2 (3) | O8ii—Mn2—O12—K3xi | −80.9 (1) |
O5i—Mn1—O1—K1 | −0.5 (3) | O10—Mn2—O12—K3xi | −173.6 (1) |
O5—Mn1—O1—K1 | 179.5 (3) | O10ii—Mn2—O12—K3xi | 6.4 (1) |
O3i—Mn1—O1—K1 | −87.4 (3) | O9viii—K4—O13—C12 | 140.3 (9) |
O3—Mn1—O1—K1 | 92.6 (3) | O10ii—K4—O13—C12 | −10.1 (9) |
O3iii—K1—O1—C1 | 143.9 (3) | O14ix—K4—O13—C12 | 66.7 (9) |
O5iv—K1—O1—C1 | 71.6 (3) | O3w—K4—O13—C12 | −80.1 (9) |
O7v—K1—O1—C1 | −110.8 (3) | O13viii—K4—O13—C12 | −155 (1) |
O6v—K1—O1—C1 | −77.4 (3) | O8—K4—O13—C12 | −70.7 (9) |
O1w—K1—O1—C1 | −168.6 (3) | O4w—K4—O13—C12 | 66.0 (15) |
O2—K1—O1—C1 | 0.2 (3) | O9viii—K4—O13—K3viii | 22.8 (1) |
O3iii—K1—O1—Mn1 | −12.3 (4) | O10ii—K4—O13—K3viii | −127.6 (1) |
O5iv—K1—O1—Mn1 | −84.6 (3) | O14ix—K4—O13—K3viii | −50.8 (1) |
O7v—K1—O1—Mn1 | 93.0 (3) | O3w—K4—O13—K3viii | 162.4 (1) |
O6v—K1—O1—Mn1 | 126.4 (3) | O13viii—K4—O13—K3viii | 88.0 (1) |
O1w—K1—O1—Mn1 | 35.2 (3) | O8—K4—O13—K3viii | 171.8 (1) |
O2—K1—O1—Mn1 | −156.0 (4) | O4w—K4—O13—K3viii | −52 (1) |
O2—K1—O1—K2 | 104.2 (2) | O9viii—K4—O13—K4viii | −65.2 (1) |
O6—K2—O1—Mn1 | 98.0 (1) | O10ii—K4—O13—K4viii | 144.4 (1) |
O6—K2—O1—K1 | −114.7 (1) | O14ix—K4—O13—K4viii | −138.7 (1) |
O3iii—K1—O2—C1 | −93.2 (4) | O3w—K4—O13—K4viii | 74.5 (2) |
O5iv—K1—O2—C1 | −116.7 (3) | O13viii—K4—O13—K4viii | 0.0 |
O1—K1—O2—C1 | −0.2 (3) | O8—K4—O13—K4viii | 83.8 (1) |
O7v—K1—O2—C1 | 101.5 (3) | O4w—K4—O13—K4viii | −139 (1) |
O6v—K1—O2—C1 | 97.9 (3) | O9viii—K4—O13—K3xi | 118.9 (1) |
O1w—K1—O2—C1 | 10.6 (3) | O10ii—K4—O13—K3xi | −31.5 (1) |
O3iii—K1—O2—K2v | 147.8 (2) | O14ix—K4—O13—K3xi | 45.3 (1) |
O5iv—K1—O2—K2v | 124.3 (1) | O3w—K4—O13—K3xi | −101.5 (1) |
O1—K1—O2—K2v | −119.2 (2) | O13viii—K4—O13—K3xi | −176.0 (1) |
O7v—K1—O2—K2v | −17.4 (2) | O8—K4—O13—K3xi | −92.2 (1) |
O6v—K1—O2—K2v | −21.1 (1) | O4w—K4—O13—K3xi | 45 (1) |
O1w—K1—O2—K2v | −108.4 (1) | O13viii—K3—O3w—K4 | −37.3 (1) |
O5i—Mn1—O3—C4 | 177.3 (4) | O10vii—K3—O3w—K4 | −162.5 (1) |
O5—Mn1—O3—C4 | −2.7 (4) | O8—K3—O3w—K4 | 57.3 (1) |
O1—Mn1—O3—C4 | 81.6 (4) | O12iv—K3—O3w—K4 | 152.8 (1) |
O1i—Mn1—O3—C4 | −98.4 (4) | O14viii—K3—O3w—K4 | −83.3 (1) |
O5i—Mn1—O3—K1iii | 14.0 (1) | O9—K3—O3w—K4 | 43.0 (1) |
O5—Mn1—O3—K1iii | −166.0 (1) | O13iv—K3—O3w—K4 | −102.4 (2) |
O1—Mn1—O3—K1iii | −81.7 (1) | O13—K4—O3w—K3 | −44.7 (2) |
O1i—Mn1—O3—K1iii | 98.3 (1) | O9viii—K4—O3w—K3 | 79.5 (2) |
O5i—Mn1—O3—K2i | −73.8 (1) | O10ii—K4—O3w—K3 | −122.9 (1) |
O5—Mn1—O3—K2i | 106.2 (1) | O14ix—K4—O3w—K3 | −170.7 (1) |
O1—Mn1—O3—K2i | −169.6 (1) | O13viii—K4—O3w—K3 | 34.9 (1) |
O1i—Mn1—O3—K2i | 10.5 (1) | O8—K4—O3w—K3 | −54.7 (1) |
O11vii—K5—O4—C4 | −166.8 (4) | O4w—K4—O3w—K3 | 140.0 (2) |
O4wiv—K5—O4—C4 | 5.5 (7) | O13—K4—O4w—K5xi | −8 (1) |
O2wiii—K5—O4—C4 | 43.9 (4) | O9viii—K4—O4w—K5xi | −82.2 (1) |
O7x—K5—O4—C4 | −82.7 (4) | O10ii—K4—O4w—K5xi | 68.3 (1) |
O14viii—K5—O4—C4 | 117.9 (4) | O14ix—K4—O4w—K5xi | −8.8 (1) |
O11vii—K5—O4—K2i | −68.6 (2) | O3w—K4—O4w—K5xi | 140.7 (2) |
O4wiv—K5—O4—K2i | 103.8 (4) | O13viii—K4—O4w—K5xi | −147.2 (1) |
O2wiii—K5—O4—K2i | 142.2 (1) | O8—K4—O4w—K5xi | 126.5 (1) |
O7x—K5—O4—K2i | 15.6 (1) | K2v—O2—C1—O1 | 91.1 (5) |
O14viii—K5—O4—K2i | −143.8 (1) | K1—O2—C1—O1 | 0.3 (5) |
O1—Mn1—O5—C2 | −32.0 (3) | K2v—O2—C1—C2 | −91.8 (5) |
O1i—Mn1—O5—C2 | 148.0 (3) | K1—O2—C1—C2 | 177.4 (4) |
O3i—Mn1—O5—C2 | −123.2 (3) | Mn1—O1—C1—O2 | 166.1 (4) |
O3—Mn1—O5—C2 | 56.8 (3) | K1—O1—C1—O2 | −0.4 (6) |
O1—Mn1—O5—K1xi | 105.1 (1) | Mn1—O1—C1—C2 | −11.1 (5) |
O1i—Mn1—O5—K1xi | −74.9 (1) | K1—O1—C1—C2 | −177.6 (3) |
O3i—Mn1—O5—K1xi | 14.0 (1) | Mn1—O5—C2—C5 | 155.2 (3) |
O3—Mn1—O5—K1xi | −166.0 (1) | K1xi—O5—C2—C5 | 31.7 (5) |
O2v—K2—O6—C6 | 134.2 (9) | Mn1—O5—C2—C3 | −86.6 (4) |
O3i—K2—O6—C6 | −19.2 (9) | K1xi—O5—C2—C3 | 149.8 (3) |
O4i—K2—O6—C6 | −0.5 (10) | Mn1—O5—C2—C1 | 33.0 (4) |
O7vi—K2—O6—C6 | 59.2 (9) | K1xi—O5—C2—C1 | −90.5 (4) |
O6v—K2—O6—C6 | −157 (1) | O2—C1—C2—O5 | 168.7 (5) |
O2v—K2—O6—K1v | 23.3 (1) | O1—C1—C2—O5 | −14.0 (6) |
O3i—K2—O6—K1v | −130.2 (1) | O2—C1—C2—C5 | 48.1 (6) |
O4i—K2—O6—K1v | −111.4 (2) | O1—C1—C2—C5 | −134.7 (5) |
O7vi—K2—O6—K1v | −51.7 (1) | O2—C1—C2—C3 | −71.7 (6) |
O6v—K2—O6—K1v | 91.9 (1) | O1—C1—C2—C3 | 105.6 (5) |
O3i—K2—O6—K2v | 137.9 (1) | O5—C2—C3—C4 | 47.0 (5) |
O4i—K2—O6—K2v | 156.7 (1) | C5—C2—C3—C4 | 165.8 (4) |
O7vi—K2—O6—K2v | −143.6 (1) | C1—C2—C3—C4 | −72.3 (5) |
O6v—K2—O6—K2v | 0.0 | K5—O4—C4—O3 | 78.8 (5) |
O2v—K2—O6—K1xi | 118.8 (1) | K2i—O4—C4—O3 | −29.6 (4) |
O3i—K2—O6—K1xi | −34.7 (1) | K5—O4—C4—C3 | −103.7 (4) |
O4i—K2—O6—K1xi | −16.0 (2) | K2i—O4—C4—C3 | 147.9 (4) |
O7vi—K2—O6—K1xi | 43.8 (1) | Mn1—O3—C4—O4 | 147.4 (4) |
O6v—K2—O6—K1xi | −172.6 (1) | K1iii—O3—C4—O4 | −56.9 (7) |
O12ii—Mn2—O8—C7 | −156.4 (3) | K2i—O3—C4—O4 | 31.2 (5) |
O12—Mn2—O8—C7 | 23.6 (3) | Mn1—O3—C4—C3 | −30.1 (6) |
O10—Mn2—O8—C7 | −62.9 (3) | K1iii—O3—C4—C3 | 125.6 (4) |
O10ii—Mn2—O8—C7 | 117.1 (3) | K2i—O3—C4—C3 | −146.3 (4) |
O12ii—Mn2—O8—K3 | −11.2 (3) | K1iii—O3—C4—K5 | −14.2 (5) |
O12—Mn2—O8—K3 | 168.8 (3) | C2—C3—C4—O4 | −164.6 (4) |
O10—Mn2—O8—K3 | 82.3 (3) | C2—C3—C4—O3 | 13.0 (6) |
O10ii—Mn2—O8—K3 | −97.7 (3) | O5—C2—C5—C6 | −61.0 (6) |
O12ii—Mn2—O8—K4 | 91.3 (1) | C3—C2—C5—C6 | −179.9 (4) |
O12—Mn2—O8—K4 | −88.7 (1) | C1—C2—C5—C6 | 59.5 (6) |
O10—Mn2—O8—K4 | −175.2 (1) | K2—O6—C6—O7 | −101.5 (9) |
O10ii—Mn2—O8—K4 | 4.8 (1) | K1v—O6—C6—O7 | 9.3 (5) |
O13viii—K3—O8—C7 | −80.1 (3) | K2v—O6—C6—O7 | 102.1 (5) |
O10vii—K3—O8—C7 | 148.0 (3) | K1xi—O6—C6—O7 | −86.2 (5) |
O12iv—K3—O8—C7 | 75.6 (3) | K2—O6—C6—C5 | 80 (1) |
O3w—K3—O8—C7 | −161.5 (3) | K1v—O6—C6—C5 | −169.4 (4) |
O14viii—K3—O8—C7 | −114.7 (3) | K2v—O6—C6—C5 | −76.6 (5) |
O9—K3—O8—C7 | −1.1 (3) | K1xi—O6—C6—C5 | 95.1 (4) |
O13iv—K3—O8—C7 | −0.9 (4) | K1v—O7—C6—O6 | −9.3 (5) |
O13viii—K3—O8—Mn2 | 132.4 (3) | K2vi—O7—C6—O6 | 72.5 (8) |
O10vii—K3—O8—Mn2 | 0.5 (4) | K5xii—O7—C6—O6 | −117.9 (5) |
O12iv—K3—O8—Mn2 | −71.9 (3) | K1v—O7—C6—C5 | 169.5 (4) |
O3w—K3—O8—Mn2 | 51.0 (3) | K2vi—O7—C6—C5 | −108.8 (6) |
O14viii—K3—O8—Mn2 | 97.8 (3) | K5xii—O7—C6—C5 | 60.9 (5) |
O9—K3—O8—Mn2 | −148.6 (4) | C2—C5—C6—O6 | −27.9 (7) |
O13iv—K3—O8—Mn2 | −148.4 (2) | C2—C5—C6—O7 | 153.3 (5) |
O13viii—K3—O8—K4 | 25.3 (1) | K4viii—O9—C7—O8 | 88.9 (5) |
O10vii—K3—O8—K4 | −106.6 (1) | K3—O9—C7—O8 | −2.2 (5) |
O12iv—K3—O8—K4 | −179.0 (1) | K4viii—O9—C7—C8 | −97.3 (5) |
O3w—K3—O8—K4 | −56.1 (1) | K3—O9—C7—C8 | 171.6 (4) |
O14viii—K3—O8—K4 | −9.3 (2) | Mn2—O8—C7—O9 | 163.4 (4) |
O9—K3—O8—K4 | 104.2 (2) | K3—O8—C7—O9 | 2.3 (5) |
O13iv—K3—O8—K4 | 104.5 (2) | K4—O8—C7—O9 | −86.5 (5) |
O13—K4—O8—C7 | −17.9 (3) | Mn2—O8—C7—C8 | −10.9 (5) |
O9viii—K4—O8—C7 | 38.2 (4) | K3—O8—C7—C8 | −172.0 (3) |
O10ii—K4—O8—C7 | −120.6 (3) | K4—O8—C7—C8 | 99.2 (4) |
O14ix—K4—O8—C7 | −76.9 (3) | Mn2—O12—C8—C11 | 154.0 (3) |
O3w—K4—O8—C7 | 153.6 (3) | K3xi—O12—C8—C11 | 33.6 (5) |
O13viii—K4—O8—C7 | 73.4 (3) | Mn2—O12—C8—C9 | −85.0 (4) |
O4w—K4—O8—C7 | 167.6 (3) | K3xi—O12—C8—C9 | 154.7 (3) |
O13—K4—O8—Mn2 | 98.5 (1) | Mn2—O12—C8—C7 | 31.3 (4) |
O9viii—K4—O8—Mn2 | 154.5 (1) | K3xi—O12—C8—C7 | −89.0 (4) |
O10ii—K4—O8—Mn2 | −4.2 (1) | O9—C7—C8—O12 | 172.9 (4) |
O14ix—K4—O8—Mn2 | 39.5 (2) | O8—C7—C8—O12 | −12.8 (6) |
O3w—K4—O8—Mn2 | −90.0 (2) | O9—C7—C8—C11 | 50.9 (6) |
O13viii—K4—O8—Mn2 | −170.2 (1) | O8—C7—C8—C11 | −134.8 (4) |
O4w—K4—O8—Mn2 | −76.1 (2) | O9—C7—C8—C9 | −68.4 (6) |
O13—K4—O8—K3 | −114.9 (1) | O8—C7—C8—C9 | 105.9 (5) |
O9viii—K4—O8—K3 | −58.9 (2) | O12—C8—C9—C10 | 62.6 (5) |
O10ii—K4—O8—K3 | 142.4 (1) | C11—C8—C9—C10 | −175.9 (4) |
O14ix—K4—O8—K3 | −173.9 (1) | C7—C8—C9—C10 | −55.5 (5) |
O3w—K4—O8—K3 | 56.6 (1) | K5vii—O11—C10—O10 | −77.4 (6) |
O13viii—K4—O8—K3 | −23.6 (1) | K5vii—O11—C10—C9 | 103.6 (5) |
O4w—K4—O8—K3 | 70.6 (1) | Mn2—O10—C10—O11 | −163.0 (4) |
O13viii—K3—O9—C7 | 99.4 (3) | K3vii—O10—C10—O11 | −26.7 (7) |
O10vii—K3—O9—C7 | −77.4 (4) | K4ii—O10—C10—O11 | 72.7 (5) |
O8—K3—O9—C7 | 1.2 (3) | Mn2—O10—C10—C9 | 15.9 (6) |
O12iv—K3—O9—C7 | −112.6 (3) | K3vii—O10—C10—C9 | 152.2 (3) |
O3w—K3—O9—C7 | 19.2 (3) | K4ii—O10—C10—C9 | −108.4 (4) |
O14viii—K3—O9—C7 | 101.8 (3) | C8—C9—C10—O11 | 152.1 (4) |
O13iv—K3—O9—C7 | −178.6 (3) | C8—C9—C10—O10 | −26.9 (6) |
O13viii—K3—O9—K4viii | −21.0 (1) | O12—C8—C11—C12 | −65.6 (6) |
O10vii—K3—O9—K4viii | 162.1 (2) | C9—C8—C11—C12 | 173.0 (4) |
O8—K3—O9—K4viii | −119.3 (2) | C7—C8—C11—C12 | 55.8 (6) |
O12iv—K3—O9—K4viii | 127.0 (1) | K4ix—O14—C12—O13 | 69.8 (8) |
O3w—K3—O9—K4viii | −101.3 (1) | K3viii—O14—C12—O13 | −9.2 (5) |
O14viii—K3—O9—K4viii | −18.7 (2) | K5viii—O14—C12—O13 | −142.1 (4) |
O13iv—K3—O9—K4viii | 60.9 (1) | K3xi—O14—C12—O13 | 76.9 (5) |
O12ii—Mn2—O10—C10 | 151.9 (4) | K4ix—O14—C12—C11 | −111.5 (6) |
O12—Mn2—O10—C10 | −28.1 (4) | K3viii—O14—C12—C11 | 169.4 (4) |
O8—Mn2—O10—C10 | 56.3 (4) | K5viii—O14—C12—C11 | 36.5 (6) |
O8ii—Mn2—O10—C10 | −123.7 (4) | K3xi—O14—C12—C11 | −104.4 (5) |
O12ii—Mn2—O10—K3vii | 6.4 (1) | K4—O13—C12—O14 | −106.9 (9) |
O12—Mn2—O10—K3vii | −173.6 (1) | K3viii—O13—C12—O14 | 9.7 (6) |
O8—Mn2—O10—K3vii | −89.2 (1) | K4viii—O13—C12—O14 | 100.0 (5) |
O8ii—Mn2—O10—K3vii | 90.8 (1) | K3xi—O13—C12—O14 | −85.4 (5) |
O12ii—Mn2—O10—K4ii | −79.4 (1) | K4—O13—C12—C11 | 74 (1) |
O12—Mn2—O10—K4ii | 100.6 (1) | K3viii—O13—C12—C11 | −168.9 (4) |
O8—Mn2—O10—K4ii | −175.0 (1) | K4viii—O13—C12—C11 | −78.7 (5) |
O8ii—Mn2—O10—K4ii | 5.0 (1) | K3xi—O13—C12—C11 | 96.0 (4) |
O8—Mn2—O12—C8 | −30.5 (3) | C8—C11—C12—O14 | 155.9 (5) |
O8ii—Mn2—O12—C8 | 149.5 (3) | C8—C11—C12—O13 | −25.3 (7) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y+2, −z+2; (iii) −x, −y+1, −z+1; (iv) x−1, y, z; (v) −x+1, −y, −z+1; (vi) −x+2, −y, −z+1; (vii) −x, −y+2, −z+2; (viii) −x+1, −y+1, −z+2; (ix) −x+2, −y+1, −z+2; (x) x−1, y+1, z; (xi) x+1, y, z; (xii) x+1, y−1, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1w—H1w2···O5i | 0.98 | 2.00 | 2.919 (6) | 157 |
O2w—H2w1···O9xiii | 0.98 | 1.95 | 2.902 (5) | 165 |
O2w—H2w2···O1w | 0.99 | 2.14 | 2.830 (6) | 125 |
O3w—H3w2···O11vii | 0.97 | 2.22 | 2.828 (5) | 120 |
O3w—H3w1···O12ii | 0.97 | 2.13 | 2.992 (5) | 148 |
O4w—H4w1···O4 | 0.97 | 1.92 | 2.828 (6) | 153 |
O4w—H4w2···O3w | 0.97 | 2.56 | 2.903 (7) | 101 |
O5w—H5w1···O2 | 0.98 | 1.82 | 2.792 (6) | 171 |
O5w—H5w2···O11xiv | 0.98 | 2.06 | 2.822 (6) | 134 |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y+2, −z+2; (vii) −x, −y+2, −z+2; (xiii) x, y, z−1; (xiv) −x, −y+1, −z+2. |
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