metal-organic compounds
The title compound, [Mn(C12H8N2)3]2[GeW12O40]·2H2O, which was prepared under hydrothermal conditions, consists of one Keggin [GeW12O40]4− anion disordered over an inversion centre, two isolated [Mn(phen)3]2+ cations (phen is 1,10-phenanthroline) and two solvent water molecules. In each [Mn(phen)3]2+ cation, the MnII ion is coordinated by six N atoms from three phen ligands, completing a distorted octahedral geometry.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807012196/bh2076sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807012196/bh2076Isup2.hkl |
CCDC reference: 642910
Computing details top
Data collection: SMART (Bruker, 2002); cell refinement: SMART; data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2002); software used to prepare material for publication: SHELXTL.
Crystal data top
[Mn(C12H8N2)3]2[GeW12O40]·2H2O | Z = 1 |
Mr = 4145.93 | F(000) = 1874 |
Triclinic, P1 | Dx = 3.061 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 12.4210 (15) Å | Cell parameters from 320 reflections |
b = 13.8640 (16) Å | θ = 2.5–25° |
c = 14.4979 (17) Å | µ = 15.97 mm−1 |
α = 104.642 (2)° | T = 293 K |
β = 109.256 (1)° | Block, brown |
γ = 93.877 (2)° | 0.18 × 0.16 × 0.15 mm |
V = 2249.0 (5) Å3 |
Data collection top
Bruker APEXII CCD area-detector diffractometer | 7765 independent reflections |
Radiation source: fine-focus sealed tube | 5537 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.032 |
ω scans | θmax = 25.0°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −14→14 |
Tmin = 0.074, Tmax = 0.091 | k = −9→16 |
11641 measured reflections | l = −17→15 |
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)] = 0.069 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.163 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0545P)2 + 86.3193P] where P = (Fo2 + 2Fc2)/3 |
7765 reflections | (Δ/σ)max = 0.001 |
665 parameters | Δρmax = 3.17 e Å−3 |
213 restraints | Δρmin = −2.26 e Å−3 |
Special details top
Experimental. Spectroscopic analysis, IR (KBr disk, cm-1): 1634, 1521, 1424, 1342, 1224, 1147, 1106, 958, 881, 845, 814, 773. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Mn1 | −0.28874 (19) | 0.64849 (18) | 0.30838 (18) | 0.0167 (5) | |
Ge1 | 0.0000 | 0.0000 | 0.0000 | 0.0226 (5) | |
W1 | −0.22922 (8) | 0.09678 (7) | 0.06487 (7) | 0.0450 (3) | |
W2 | −0.19250 (9) | 0.11786 (7) | −0.15972 (7) | 0.0521 (3) | |
W3 | −0.28856 (8) | −0.12065 (7) | −0.14183 (7) | 0.0504 (3) | |
W4 | 0.09786 (7) | 0.23549 (6) | −0.02109 (8) | 0.0451 (3) | |
W5 | 0.06115 (7) | 0.21903 (6) | 0.20648 (6) | 0.0389 (2) | |
W6 | −0.03464 (8) | −0.01671 (8) | 0.22932 (7) | 0.0478 (3) | |
O1 | −0.3346 (12) | 0.1437 (12) | 0.0981 (14) | 0.061 (5) | |
O2 | −0.2810 (12) | 0.1729 (10) | −0.2358 (10) | 0.041 (3) | |
O3 | −0.4217 (11) | −0.1776 (12) | −0.2082 (11) | 0.054 (4) | |
O4 | 0.1451 (14) | 0.3482 (11) | −0.0263 (13) | 0.058 (4) | |
O5 | 0.0913 (17) | 0.3221 (12) | 0.3065 (13) | 0.086 (6) | |
O6 | −0.0541 (15) | −0.0226 (14) | 0.3347 (13) | 0.068 (5) | |
O7 | −0.2904 (15) | −0.0134 (13) | −0.2045 (13) | 0.065 (3) | |
O8 | −0.2438 (15) | 0.1519 (13) | −0.0447 (13) | 0.066 (3) | |
O9 | −0.3177 (15) | −0.0273 (14) | −0.0305 (13) | 0.069 (3) | |
O10 | −0.0622 (14) | 0.2224 (13) | −0.0873 (12) | 0.062 (3) | |
O11 | 0.1106 (14) | −0.0598 (14) | 0.2462 (14) | 0.081 (5) | |
O12 | 0.2122 (14) | 0.1858 (18) | 0.2271 (14) | 0.088 (7) | |
O13 | 0.2386 (14) | 0.2019 (17) | 0.0548 (14) | 0.079 (6) | |
O14 | 0.1080 (14) | 0.1518 (14) | −0.1389 (15) | 0.087 (5) | |
O15 | 0.0413 (13) | 0.1190 (12) | 0.2721 (12) | 0.058 (3) | |
O16 | −0.1750 (13) | 0.0260 (12) | 0.1641 (12) | 0.058 (3) | |
O17 | 0.0683 (13) | 0.2733 (16) | 0.1027 (14) | 0.073 (6) | |
O18 | −0.1011 (13) | 0.2046 (12) | 0.1502 (12) | 0.054 (3) | |
O19 | −0.150 (2) | 0.018 (2) | −0.046 (2) | 0.043 (3) | 0.50 |
O20 | 0.083 (2) | 0.1120 (18) | 0.0667 (19) | 0.031 (4) | 0.50 |
O21 | 0.004 (2) | −0.079 (2) | 0.0834 (18) | 0.036 (4) | 0.50 |
O22 | 0.0336 (19) | −0.0619 (16) | −0.0979 (16) | 0.0224 (9) | 0.50 |
N1 | −0.1146 (13) | 0.7046 (12) | 0.3468 (11) | 0.034 (4) | |
N2 | −0.2450 (15) | 0.5364 (13) | 0.2041 (13) | 0.041 (4) | |
N3 | −0.2585 (14) | 0.5614 (11) | 0.4115 (12) | 0.036 (4) | |
N4 | −0.4595 (14) | 0.5743 (11) | 0.2680 (12) | 0.034 (4) | |
N5 | −0.3118 (12) | 0.7776 (11) | 0.4079 (11) | 0.029 (3) | |
N6 | −0.3439 (14) | 0.7326 (14) | 0.2057 (13) | 0.040 (4) | |
C1 | −0.0528 (13) | 0.7874 (16) | 0.4194 (16) | 0.041 (5) | |
H1A | −0.0869 | 0.8248 | 0.4617 | 0.049* | |
C2 | 0.0624 (13) | 0.8203 (14) | 0.4343 (15) | 0.051 (6) | |
H2A | 0.1041 | 0.8785 | 0.4860 | 0.061* | |
C3 | 0.1138 (14) | 0.7648 (12) | 0.3709 (13) | 0.043 (5) | |
H3A | 0.1903 | 0.7852 | 0.3798 | 0.051* | |
C4 | 0.0481 (12) | 0.6779 (11) | 0.2937 (12) | 0.034 (5) | |
C5 | −0.0664 (12) | 0.6513 (15) | 0.2850 (14) | 0.031 (4) | |
C6 | 0.0926 (16) | 0.6138 (13) | 0.2284 (14) | 0.046 (6) | |
H6A | 0.1680 | 0.6323 | 0.2331 | 0.056* | |
C7 | 0.0276 (12) | 0.5232 (14) | 0.1566 (15) | 0.044 (5) | |
H7A | 0.0603 | 0.4816 | 0.1159 | 0.053* | |
C8 | −0.0873 (13) | 0.4956 (11) | 0.1466 (12) | 0.036 (5) | |
C9 | −0.1336 (15) | 0.5606 (13) | 0.2093 (13) | 0.029 (4) | |
C10 | −0.1581 (13) | 0.4064 (12) | 0.0753 (14) | 0.039 (5) | |
H10A | −0.1304 | 0.3629 | 0.0314 | 0.047* | |
C11 | −0.2709 (14) | 0.3850 (13) | 0.0720 (14) | 0.040 (5) | |
H11A | −0.3191 | 0.3254 | 0.0277 | 0.048* | |
C12 | −0.3100 (17) | 0.4545 (14) | 0.1363 (15) | 0.045 (5) | |
H12A | −0.3868 | 0.4417 | 0.1304 | 0.055* | |
C13 | −0.1608 (19) | 0.5534 (13) | 0.4793 (14) | 0.042 (5) | |
H13A | −0.0929 | 0.5921 | 0.4863 | 0.050* | |
C14 | −0.1544 (15) | 0.4894 (14) | 0.5414 (15) | 0.048 (6) | |
H14A | −0.0848 | 0.4864 | 0.5902 | 0.058* | |
C15 | −0.2581 (14) | 0.4305 (15) | 0.5261 (16) | 0.064 (8) | |
H15A | −0.2563 | 0.3850 | 0.5639 | 0.077* | |
C16 | −0.3645 (13) | 0.4371 (13) | 0.4564 (14) | 0.036 (5) | |
C17 | −0.3580 (16) | 0.5020 (12) | 0.3976 (13) | 0.031 (4) | |
C18 | −0.4684 (14) | 0.3791 (15) | 0.4421 (15) | 0.057 (7) | |
H18A | −0.4695 | 0.3373 | 0.4829 | 0.068* | |
C19 | −0.5703 (16) | 0.3843 (14) | 0.3666 (14) | 0.045 (5) | |
H19A | −0.6393 | 0.3441 | 0.3552 | 0.053* | |
C20 | −0.5681 (12) | 0.4503 (13) | 0.3083 (13) | 0.041 (5) | |
C21 | −0.4635 (12) | 0.5076 (13) | 0.3228 (14) | 0.029 (4) | |
C22 | −0.6660 (14) | 0.4579 (15) | 0.2297 (14) | 0.048 (6) | |
H22A | −0.7364 | 0.4187 | 0.2158 | 0.057* | |
C23 | −0.6604 (14) | 0.5231 (15) | 0.1717 (15) | 0.049 (6) | |
H23A | −0.7249 | 0.5297 | 0.1198 | 0.059* | |
C24 | −0.5508 (13) | 0.5776 (16) | 0.1971 (15) | 0.041 (5) | |
H24A | −0.5442 | 0.6204 | 0.1585 | 0.050* | |
C25 | −0.2938 (18) | 0.7953 (14) | 0.5059 (15) | 0.045 (5) | |
H25A | −0.2714 | 0.7453 | 0.5372 | 0.054* | |
C26 | −0.308 (2) | 0.8876 (13) | 0.5639 (14) | 0.058 (7) | |
H26A | −0.2950 | 0.8982 | 0.6329 | 0.070* | |
C27 | −0.341 (2) | 0.9639 (17) | 0.5190 (14) | 0.064 (7) | |
H27A | −0.3490 | 1.0258 | 0.5575 | 0.077* | |
C28 | −0.3615 (19) | 0.9452 (14) | 0.4147 (14) | 0.057 (7) | |
C29 | −0.3470 (15) | 0.8501 (13) | 0.3623 (13) | 0.039 (5) | |
C30 | −0.398 (2) | 1.0145 (17) | 0.3595 (18) | 0.076 (9) | |
H30A | −0.4081 | 1.0779 | 0.3930 | 0.091* | |
C31 | −0.419 (2) | 0.9893 (16) | 0.2549 (18) | 0.077 (9) | |
H31A | −0.4437 | 1.0361 | 0.2199 | 0.092* | |
C32 | −0.4031 (17) | 0.8951 (13) | 0.2014 (12) | 0.041 (5) | |
C33 | −0.3663 (14) | 0.8257 (15) | 0.2555 (15) | 0.037 (5) | |
C34 | −0.428 (2) | 0.8709 (18) | 0.0966 (13) | 0.064 (8) | |
H34A | −0.4562 | 0.9155 | 0.0597 | 0.077* | |
C35 | −0.4077 (17) | 0.7763 (17) | 0.0496 (16) | 0.060 (7) | |
H35A | −0.4215 | 0.7560 | −0.0200 | 0.071* | |
C36 | −0.3662 (18) | 0.7126 (18) | 0.1098 (15) | 0.052 (6) | |
H36A | −0.3538 | 0.6499 | 0.0768 | 0.062* | |
O1W | −0.367 (3) | 0.291 (3) | 0.246 (3) | 0.094 (16) | 0.50 |
O2W | −0.404 (4) | 0.236 (4) | −0.398 (4) | 0.112 (18) | 0.50 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Mn1 | 0.0136 (12) | 0.0169 (12) | 0.0191 (12) | 0.0043 (10) | 0.0046 (10) | 0.0057 (10) |
Ge1 | 0.0245 (13) | 0.0190 (13) | 0.0215 (13) | 0.0073 (11) | 0.0025 (10) | 0.0080 (11) |
W1 | 0.0601 (6) | 0.0382 (5) | 0.0475 (5) | 0.0199 (4) | 0.0290 (5) | 0.0149 (4) |
W2 | 0.0708 (7) | 0.0327 (5) | 0.0349 (5) | 0.0253 (5) | −0.0058 (4) | 0.0083 (4) |
W3 | 0.0481 (6) | 0.0405 (5) | 0.0453 (5) | −0.0135 (4) | −0.0040 (4) | 0.0162 (4) |
W4 | 0.0340 (5) | 0.0245 (4) | 0.0695 (6) | 0.0032 (4) | 0.0090 (4) | 0.0146 (4) |
W5 | 0.0431 (5) | 0.0286 (5) | 0.0377 (5) | 0.0055 (4) | 0.0104 (4) | 0.0030 (4) |
W6 | 0.0487 (5) | 0.0679 (7) | 0.0346 (5) | 0.0254 (5) | 0.0185 (4) | 0.0193 (5) |
O1 | 0.024 (8) | 0.055 (10) | 0.102 (13) | 0.003 (7) | 0.027 (8) | 0.013 (9) |
O2 | 0.043 (8) | 0.040 (8) | 0.046 (8) | 0.021 (7) | 0.011 (7) | 0.026 (7) |
O3 | 0.028 (7) | 0.069 (11) | 0.051 (9) | 0.003 (7) | 0.017 (7) | −0.007 (8) |
O4 | 0.076 (11) | 0.028 (8) | 0.082 (12) | 0.018 (8) | 0.036 (10) | 0.025 (8) |
O5 | 0.108 (12) | 0.041 (9) | 0.057 (9) | 0.040 (9) | −0.021 (9) | −0.012 (8) |
O6 | 0.077 (12) | 0.073 (12) | 0.061 (11) | −0.006 (10) | 0.020 (9) | 0.041 (10) |
O7 | 0.066 (3) | 0.065 (3) | 0.065 (3) | 0.0104 (12) | 0.0231 (14) | 0.0191 (13) |
O8 | 0.067 (3) | 0.065 (3) | 0.065 (3) | 0.0107 (12) | 0.0233 (14) | 0.0192 (13) |
O9 | 0.070 (3) | 0.068 (3) | 0.068 (3) | 0.0109 (12) | 0.0241 (15) | 0.0200 (13) |
O10 | 0.061 (3) | 0.061 (3) | 0.062 (3) | 0.0110 (11) | 0.0215 (14) | 0.0165 (13) |
O11 | 0.049 (7) | 0.082 (8) | 0.071 (8) | 0.027 (7) | 0.000 (7) | −0.022 (7) |
O12 | 0.052 (10) | 0.18 (2) | 0.096 (14) | 0.053 (12) | 0.045 (10) | 0.112 (15) |
O13 | 0.060 (11) | 0.148 (19) | 0.080 (12) | 0.064 (12) | 0.038 (10) | 0.091 (13) |
O14 | 0.044 (7) | 0.072 (8) | 0.093 (8) | 0.019 (7) | −0.007 (7) | −0.027 (8) |
O15 | 0.049 (6) | 0.059 (6) | 0.063 (6) | 0.008 (5) | 0.007 (5) | 0.031 (5) |
O16 | 0.053 (6) | 0.060 (6) | 0.061 (6) | 0.012 (5) | 0.007 (5) | 0.035 (5) |
O17 | 0.038 (9) | 0.132 (17) | 0.099 (13) | 0.051 (10) | 0.039 (9) | 0.090 (13) |
O18 | 0.052 (6) | 0.049 (6) | 0.063 (6) | 0.006 (5) | 0.012 (5) | 0.029 (5) |
O19 | 0.043 (3) | 0.042 (3) | 0.042 (3) | 0.0071 (11) | 0.0152 (14) | 0.0127 (13) |
O20 | 0.028 (6) | 0.022 (6) | 0.045 (6) | 0.008 (6) | 0.017 (6) | 0.007 (6) |
O21 | 0.038 (8) | 0.055 (9) | 0.030 (8) | 0.016 (8) | 0.020 (7) | 0.024 (7) |
O22 | 0.0243 (17) | 0.0190 (16) | 0.0214 (16) | 0.0072 (15) | 0.0027 (15) | 0.0080 (15) |
N1 | 0.026 (8) | 0.035 (9) | 0.026 (8) | −0.002 (7) | −0.003 (7) | 0.004 (7) |
N2 | 0.042 (10) | 0.037 (10) | 0.045 (10) | 0.004 (8) | 0.014 (8) | 0.016 (9) |
N3 | 0.041 (10) | 0.020 (8) | 0.046 (10) | 0.007 (7) | 0.018 (8) | 0.005 (7) |
N4 | 0.039 (9) | 0.025 (8) | 0.039 (9) | 0.006 (7) | 0.017 (8) | 0.007 (7) |
N5 | 0.024 (8) | 0.033 (9) | 0.026 (8) | 0.007 (7) | 0.001 (6) | 0.013 (7) |
N6 | 0.032 (9) | 0.048 (11) | 0.040 (10) | −0.002 (8) | 0.009 (8) | 0.018 (9) |
C1 | 0.029 (11) | 0.041 (12) | 0.049 (13) | 0.009 (10) | 0.005 (9) | 0.019 (11) |
C2 | 0.032 (12) | 0.028 (11) | 0.062 (15) | −0.007 (9) | −0.014 (10) | 0.005 (11) |
C3 | 0.016 (9) | 0.038 (12) | 0.080 (16) | 0.005 (9) | 0.011 (10) | 0.038 (12) |
C4 | 0.037 (11) | 0.029 (11) | 0.041 (11) | 0.008 (9) | 0.006 (9) | 0.027 (9) |
C5 | 0.022 (9) | 0.041 (12) | 0.037 (11) | 0.011 (9) | 0.012 (8) | 0.019 (9) |
C6 | 0.031 (11) | 0.051 (14) | 0.079 (16) | 0.014 (10) | 0.027 (11) | 0.043 (13) |
C7 | 0.034 (11) | 0.048 (13) | 0.060 (14) | 0.020 (10) | 0.016 (10) | 0.031 (12) |
C8 | 0.045 (12) | 0.035 (11) | 0.046 (12) | 0.014 (10) | 0.027 (10) | 0.027 (10) |
C9 | 0.028 (10) | 0.027 (10) | 0.036 (10) | 0.011 (8) | 0.009 (8) | 0.016 (9) |
C10 | 0.052 (13) | 0.030 (11) | 0.044 (12) | 0.023 (10) | 0.023 (10) | 0.013 (10) |
C11 | 0.057 (14) | 0.020 (10) | 0.036 (11) | 0.013 (10) | 0.012 (10) | 0.000 (9) |
C12 | 0.033 (11) | 0.031 (12) | 0.065 (15) | 0.010 (10) | 0.014 (11) | 0.005 (11) |
C13 | 0.049 (13) | 0.029 (11) | 0.036 (11) | 0.020 (10) | 0.004 (10) | 0.002 (9) |
C14 | 0.044 (13) | 0.043 (13) | 0.047 (13) | 0.026 (11) | −0.004 (10) | 0.018 (11) |
C15 | 0.11 (2) | 0.019 (11) | 0.056 (15) | −0.003 (13) | 0.029 (16) | 0.013 (11) |
C16 | 0.049 (12) | 0.029 (11) | 0.046 (12) | 0.013 (9) | 0.018 (10) | 0.033 (10) |
C17 | 0.038 (11) | 0.021 (9) | 0.032 (10) | 0.009 (8) | 0.005 (8) | 0.010 (8) |
C18 | 0.09 (2) | 0.033 (12) | 0.055 (15) | −0.002 (13) | 0.047 (15) | 0.005 (11) |
C19 | 0.041 (12) | 0.042 (13) | 0.044 (13) | −0.015 (10) | 0.014 (10) | 0.009 (10) |
C20 | 0.053 (13) | 0.029 (11) | 0.040 (12) | −0.001 (10) | 0.023 (10) | 0.003 (9) |
C21 | 0.017 (9) | 0.030 (10) | 0.035 (10) | 0.002 (8) | 0.005 (8) | 0.008 (9) |
C22 | 0.022 (10) | 0.055 (14) | 0.046 (13) | −0.011 (10) | −0.001 (9) | 0.003 (11) |
C23 | 0.045 (13) | 0.062 (15) | 0.040 (12) | 0.022 (12) | 0.012 (10) | 0.013 (11) |
C24 | 0.019 (10) | 0.058 (14) | 0.037 (11) | −0.015 (9) | −0.001 (9) | 0.019 (10) |
C25 | 0.047 (13) | 0.046 (13) | 0.034 (12) | 0.003 (11) | 0.016 (10) | −0.002 (10) |
C26 | 0.067 (16) | 0.059 (16) | 0.022 (11) | −0.012 (13) | 0.008 (11) | −0.017 (11) |
C27 | 0.073 (18) | 0.059 (17) | 0.061 (17) | 0.034 (14) | 0.031 (14) | 0.003 (14) |
C28 | 0.041 (13) | 0.048 (14) | 0.075 (17) | 0.027 (11) | 0.020 (12) | 0.000 (13) |
C29 | 0.016 (9) | 0.072 (15) | 0.034 (11) | 0.014 (10) | 0.005 (8) | 0.029 (11) |
C30 | 0.09 (2) | 0.039 (15) | 0.12 (3) | 0.029 (14) | 0.039 (19) | 0.038 (16) |
C31 | 0.067 (18) | 0.09 (2) | 0.10 (2) | 0.030 (16) | 0.025 (17) | 0.06 (2) |
C32 | 0.041 (5) | 0.041 (5) | 0.041 (5) | 0.0068 (13) | 0.015 (2) | 0.0124 (18) |
C33 | 0.015 (9) | 0.054 (14) | 0.041 (11) | −0.009 (9) | 0.003 (8) | 0.026 (10) |
C34 | 0.050 (15) | 0.10 (2) | 0.055 (16) | −0.004 (15) | 0.017 (12) | 0.047 (16) |
C35 | 0.028 (12) | 0.10 (2) | 0.033 (12) | −0.013 (13) | −0.004 (9) | 0.016 (14) |
C36 | 0.055 (14) | 0.074 (17) | 0.030 (12) | −0.006 (13) | 0.023 (10) | 0.015 (11) |
O1W | 0.06 (2) | 0.06 (2) | 0.15 (4) | −0.020 (19) | 0.08 (3) | −0.04 (2) |
O2W | 0.10 (3) | 0.17 (5) | 0.13 (4) | 0.08 (3) | 0.05 (3) | 0.14 (4) |
Geometric parameters (Å, º) top
Ge1—O19 | 1.81 (3) | N2—C12 | 1.30 (2) |
Ge1—O20 | 1.67 (2) | N2—C9 | 1.37 (2) |
Ge1—O21 | 1.81 (2) | N3—C13 | 1.32 (2) |
Ge1—O22 | 1.66 (2) | N3—C17 | 1.36 (2) |
Ge1—O19i | 1.81 (3) | N4—C24 | 1.27 (2) |
Ge1—O20i | 1.67 (2) | N4—C21 | 1.37 (2) |
Ge1—O21i | 1.81 (2) | N5—C25 | 1.32 (2) |
Ge1—O22i | 1.66 (2) | N5—C29 | 1.36 (2) |
W1—O1 | 1.656 (14) | N6—C36 | 1.28 (2) |
W2—O2 | 1.657 (12) | N6—C33 | 1.41 (3) |
W3—O3 | 1.635 (13) | C1—C2 | 1.399 (10) |
W4—O4 | 1.661 (14) | C1—H1A | 0.9300 |
W5—O5 | 1.675 (15) | C2—C3 | 1.393 (10) |
W6—O6 | 1.644 (16) | C2—H2A | 0.9300 |
W1—O8 | 1.893 (17) | C3—C4 | 1.398 (10) |
W1—O9 | 1.902 (18) | C3—H3A | 0.9300 |
W1—O16 | 1.911 (14) | C4—C5 | 1.400 (10) |
W1—O18 | 1.934 (15) | C4—C6 | 1.406 (10) |
W2—O7 | 1.947 (17) | C5—C9 | 1.43 (2) |
W2—O8 | 1.938 (17) | C6—C7 | 1.400 (10) |
W2—O10 | 1.901 (17) | C6—H6A | 0.9300 |
W2—O11i | 1.923 (17) | C7—C8 | 1.402 (10) |
W3—O7 | 1.926 (17) | C7—H7A | 0.9300 |
W3—O9 | 1.951 (18) | C8—C9 | 1.403 (10) |
W3—O12i | 1.889 (19) | C8—C10 | 1.406 (10) |
W3—O13i | 1.882 (15) | C10—C11 | 1.395 (10) |
W4—O10 | 1.873 (16) | C10—H10A | 0.9300 |
W4—O13 | 1.894 (15) | C11—C12 | 1.393 (10) |
W4—O14 | 1.854 (18) | C11—H11A | 0.9300 |
W4—O17 | 1.902 (17) | C12—H12A | 0.9300 |
W5—O12 | 1.907 (16) | C13—C14 | 1.404 (10) |
W5—O15 | 1.914 (15) | C13—H13A | 0.9300 |
W5—O17 | 1.868 (15) | C14—C15 | 1.398 (10) |
W5—O18 | 1.884 (15) | C14—H14A | 0.9300 |
W6—O11 | 1.897 (16) | C15—C16 | 1.400 (10) |
W6—O14i | 1.949 (17) | C15—H15A | 0.9300 |
W6—O15 | 1.897 (16) | C16—C18 | 1.398 (10) |
W6—O16 | 1.903 (15) | C16—C17 | 1.402 (10) |
W1—O19 | 2.25 (3) | C17—C21 | 1.42 (2) |
W1—O22i | 2.42 (2) | C18—C19 | 1.394 (10) |
W2—O19 | 2.37 (3) | C18—H18A | 0.9300 |
W2—O21i | 2.40 (2) | C19—C20 | 1.399 (10) |
W3—O19 | 2.28 (3) | C19—H19A | 0.9300 |
W3—O20i | 2.41 (2) | C20—C22 | 1.397 (10) |
W4—O20 | 2.41 (2) | C20—C21 | 1.400 (10) |
W4—O21i | 2.24 (3) | C22—C23 | 1.394 (10) |
W5—O20 | 2.30 (2) | C22—H22A | 0.9300 |
W5—O22i | 2.30 (2) | C23—C24 | 1.396 (10) |
W6—O21 | 2.29 (2) | C23—H23A | 0.9300 |
W6—O22i | 2.42 (2) | C24—H24A | 0.9300 |
O11—W2i | 1.923 (17) | C25—C26 | 1.400 (10) |
O12—W3i | 1.889 (19) | C25—H25A | 0.9300 |
O13—W3i | 1.882 (15) | C26—C27 | 1.393 (10) |
O14—W6i | 1.949 (17) | C26—H26A | 0.9300 |
O20—O22i | 1.80 (3) | C27—C28 | 1.400 (10) |
O20—W3i | 2.41 (2) | C27—H27A | 0.9300 |
O21—W4i | 2.24 (3) | C28—C29 | 1.401 (10) |
O21—W2i | 2.40 (2) | C28—C30 | 1.406 (10) |
O22—O20i | 1.80 (3) | C29—C33 | 1.43 (3) |
O22—W5i | 2.30 (2) | C30—C31 | 1.395 (10) |
O22—W1i | 2.42 (2) | C30—H30A | 0.9300 |
O22—W6i | 2.42 (2) | C31—C32 | 1.402 (10) |
Mn1—N1 | 2.086 (15) | C31—H31A | 0.9300 |
Mn1—N2 | 2.113 (17) | C32—C34 | 1.391 (10) |
Mn1—N3 | 2.107 (17) | C32—C33 | 1.398 (10) |
Mn1—N4 | 2.117 (16) | C34—C35 | 1.398 (10) |
Mn1—N5 | 2.099 (15) | C34—H34A | 0.9300 |
Mn1—N6 | 2.088 (17) | C35—C36 | 1.399 (10) |
N1—C1 | 1.32 (2) | C35—H35A | 0.9300 |
N1—C5 | 1.34 (2) | C36—H36A | 0.9300 |
N1—Mn1—N6 | 92.9 (6) | W1—O8—W2 | 133.0 (10) |
N1—Mn1—N5 | 92.4 (6) | W1—O9—W3 | 130.9 (9) |
N6—Mn1—N5 | 81.2 (6) | W4—O10—W2 | 138.6 (10) |
N1—Mn1—N3 | 95.2 (6) | W6—O11—W2i | 137.1 (10) |
N6—Mn1—N3 | 171.5 (6) | W3i—O12—W5 | 135.4 (11) |
N5—Mn1—N3 | 95.9 (6) | W3i—O13—W4 | 138.3 (10) |
N1—Mn1—N2 | 79.3 (6) | W4—O14—W6i | 135.8 (13) |
N6—Mn1—N2 | 93.4 (7) | W6—O15—W5 | 136.0 (9) |
N5—Mn1—N2 | 169.9 (6) | W6—O16—W1 | 137.3 (9) |
N3—Mn1—N2 | 90.7 (6) | W5—O17—W4 | 139.4 (11) |
N1—Mn1—N4 | 173.1 (6) | W5—O18—W1 | 137.1 (9) |
N6—Mn1—N4 | 91.8 (6) | Ge1—O19—W1 | 120.0 (13) |
N5—Mn1—N4 | 93.2 (6) | Ge1—O19—W3 | 118.7 (14) |
N3—Mn1—N4 | 80.3 (6) | W1—O19—W3 | 101.4 (11) |
N2—Mn1—N4 | 95.5 (6) | Ge1—O19—W2 | 115.0 (13) |
O22—Ge1—O22i | 180 (2) | W1—O19—W2 | 99.0 (11) |
O22—Ge1—O20i | 65.5 (11) | W3—O19—W2 | 99.2 (10) |
O22i—Ge1—O20i | 114.5 (11) | Ge1—O20—O22i | 57.0 (10) |
O22—Ge1—O20 | 114.5 (11) | Ge1—O20—W5 | 124.2 (12) |
O22i—Ge1—O20 | 65.5 (11) | O22i—O20—W5 | 67.2 (10) |
O20i—Ge1—O20 | 180 (3) | Ge1—O20—W3i | 119.2 (12) |
O22—Ge1—O21i | 70.7 (11) | O22i—O20—W3i | 131.0 (15) |
O22i—Ge1—O21i | 109.3 (11) | W5—O20—W3i | 96.6 (9) |
O20i—Ge1—O21i | 110.0 (12) | Ge1—O20—W4 | 118.8 (13) |
O20—Ge1—O21i | 70.0 (12) | O22i—O20—W4 | 132.2 (14) |
O22—Ge1—O21 | 109.3 (11) | W5—O20—W4 | 97.4 (9) |
O22i—Ge1—O21 | 70.7 (11) | W3i—O20—W4 | 94.2 (8) |
O20i—Ge1—O21 | 70.0 (12) | Ge1—O21—W4i | 120.5 (13) |
O20—Ge1—O21 | 110.0 (12) | Ge1—O21—W6 | 119.2 (13) |
O21i—Ge1—O21 | 180.0 (12) | W4i—O21—W6 | 101.9 (9) |
O22—Ge1—O19 | 109.2 (11) | Ge1—O21—W2i | 113.8 (11) |
O22i—Ge1—O19 | 70.8 (11) | W4i—O21—W2i | 99.1 (10) |
O20i—Ge1—O19 | 71.0 (12) | W6—O21—W2i | 98.5 (9) |
O20—Ge1—O19 | 109.0 (12) | Ge1—O22—O20i | 57.4 (10) |
O21i—Ge1—O19 | 75.6 (12) | Ge1—O22—W5i | 124.2 (12) |
O21—Ge1—O19 | 104.4 (12) | O20i—O22—W5i | 66.8 (10) |
O22—Ge1—O19i | 70.8 (11) | Ge1—O22—W1i | 118.3 (10) |
O22i—Ge1—O19i | 109.2 (11) | O20i—O22—W1i | 131.5 (13) |
O20i—Ge1—O19i | 109.0 (12) | W5i—O22—W1i | 97.4 (8) |
O20—Ge1—O19i | 71.0 (12) | Ge1—O22—W6i | 119.7 (11) |
O21i—Ge1—O19i | 104.4 (12) | O20i—O22—W6i | 131.7 (13) |
O21—Ge1—O19i | 75.6 (12) | W5i—O22—W6i | 96.7 (8) |
O19—Ge1—O19i | 180 (2) | W1i—O22—W6i | 94.2 (8) |
O1—W1—O8 | 98.1 (8) | C1—N1—C5 | 119.2 (16) |
O1—W1—O9 | 97.9 (8) | C1—N1—Mn1 | 127.3 (13) |
O8—W1—O9 | 89.5 (8) | C5—N1—Mn1 | 113.4 (11) |
O1—W1—O16 | 100.0 (8) | C12—N2—C9 | 119.2 (17) |
O8—W1—O16 | 161.9 (7) | C12—N2—Mn1 | 128.8 (13) |
O9—W1—O16 | 88.8 (7) | C9—N2—Mn1 | 111.9 (12) |
O1—W1—O18 | 100.0 (7) | C13—N3—C17 | 118.8 (16) |
O8—W1—O18 | 88.5 (7) | C13—N3—Mn1 | 130.0 (13) |
O9—W1—O18 | 162.1 (7) | C17—N3—Mn1 | 111.1 (11) |
O16—W1—O18 | 87.6 (6) | C24—N4—C21 | 119.0 (16) |
O1—W1—O19 | 154.8 (9) | C24—N4—Mn1 | 129.0 (13) |
O8—W1—O19 | 65.6 (9) | C21—N4—Mn1 | 111.7 (11) |
O9—W1—O19 | 64.5 (9) | C25—N5—C29 | 119.0 (16) |
O16—W1—O19 | 97.6 (9) | C25—N5—Mn1 | 127.9 (13) |
O18—W1—O19 | 98.6 (9) | C29—N5—Mn1 | 113.1 (11) |
O1—W1—O22i | 154.2 (8) | C36—N6—C33 | 117.3 (18) |
O8—W1—O22i | 98.6 (7) | C36—N6—Mn1 | 132.6 (16) |
O9—W1—O22i | 101.7 (7) | C33—N6—Mn1 | 110.0 (11) |
O16—W1—O22i | 64.2 (7) | N1—C1—C2 | 121.9 (19) |
O18—W1—O22i | 61.1 (7) | N1—C1—H1A | 119.0 |
O19—W1—O22i | 50.9 (9) | C2—C1—H1A | 119.0 |
O2—W2—O10 | 101.7 (7) | C3—C2—C1 | 119.3 (17) |
O2—W2—O11i | 99.6 (8) | C3—C2—H2A | 120.3 |
O10—W2—O11i | 87.8 (7) | C1—C2—H2A | 120.3 |
O2—W2—O8 | 99.5 (7) | C2—C3—C4 | 118.7 (15) |
O10—W2—O8 | 89.9 (7) | C2—C3—H3A | 120.7 |
O11i—W2—O8 | 160.9 (8) | C4—C3—H3A | 120.7 |
O2—W2—O7 | 98.3 (7) | C3—C4—C5 | 117.7 (15) |
O10—W2—O7 | 160.0 (7) | C3—C4—C6 | 123.5 (14) |
O11i—W2—O7 | 88.4 (8) | C5—C4—C6 | 118.8 (15) |
O8—W2—O7 | 87.4 (7) | N1—C5—C4 | 123.2 (16) |
O2—W2—O19 | 153.3 (8) | N1—C5—C9 | 118.2 (13) |
O10—W2—O19 | 98.0 (8) | C4—C5—C9 | 118.6 (15) |
O11i—W2—O19 | 99.1 (9) | C7—C6—C4 | 122.5 (17) |
O8—W2—O19 | 62.5 (8) | C7—C6—H6A | 118.8 |
O7—W2—O19 | 63.3 (8) | C4—C6—H6A | 118.8 |
O2—W2—O21i | 151.1 (7) | C6—C7—C8 | 119.5 (17) |
O10—W2—O21i | 59.3 (8) | C6—C7—H7A | 120.2 |
O11i—W2—O21i | 60.9 (8) | C8—C7—H7A | 120.2 |
O8—W2—O21i | 101.8 (8) | C7—C8—C9 | 118.4 (15) |
O7—W2—O21i | 101.9 (8) | C7—C8—C10 | 122.6 (14) |
O19—W2—O21i | 55.6 (9) | C9—C8—C10 | 119.0 (14) |
O3—W3—O13i | 100.9 (9) | N2—C9—C8 | 120.9 (16) |
O3—W3—O12i | 100.4 (8) | N2—C9—C5 | 116.8 (14) |
O13i—W3—O12i | 90.8 (7) | C8—C9—C5 | 122.2 (15) |
O3—W3—O7 | 97.7 (8) | C11—C10—C8 | 118.3 (15) |
O13i—W3—O7 | 161.4 (8) | C11—C10—H10A | 120.9 |
O12i—W3—O7 | 87.0 (7) | C8—C10—H10A | 120.9 |
O3—W3—O9 | 98.1 (7) | C12—C11—C10 | 118.8 (17) |
O13i—W3—O9 | 87.8 (8) | C12—C11—H11A | 120.6 |
O12i—W3—O9 | 161.4 (8) | C10—C11—H11A | 120.6 |
O7—W3—O9 | 88.5 (7) | N2—C12—C11 | 123.6 (18) |
O3—W3—O19 | 153.8 (9) | N2—C12—H12A | 118.2 |
O13i—W3—O19 | 96.7 (10) | C11—C12—H12A | 118.2 |
O12i—W3—O19 | 98.7 (10) | N3—C13—C14 | 123.2 (19) |
O7—W3—O19 | 65.5 (9) | N3—C13—H13A | 118.4 |
O9—W3—O19 | 63.2 (9) | C14—C13—H13A | 118.4 |
O3—W3—O20i | 155.1 (8) | C15—C14—C13 | 116.5 (18) |
O13i—W3—O20i | 63.8 (8) | C15—C14—H14A | 121.8 |
O12i—W3—O20i | 62.4 (8) | C13—C14—H14A | 121.8 |
O7—W3—O20i | 99.1 (8) | C14—C15—C16 | 122.7 (17) |
O9—W3—O20i | 100.7 (8) | C14—C15—H15A | 118.7 |
O19—W3—O20i | 51.1 (9) | C16—C15—H15A | 118.7 |
O4—W4—O14 | 101.1 (9) | C18—C16—C15 | 122.7 (14) |
O4—W4—O10 | 102.0 (8) | C18—C16—C17 | 122.5 (16) |
O14—W4—O10 | 89.9 (7) | C15—C16—C17 | 114.8 (16) |
O4—W4—O13 | 100.3 (8) | N3—C17—C16 | 123.8 (16) |
O14—W4—O13 | 88.7 (8) | N3—C17—C21 | 119.6 (13) |
O10—W4—O13 | 157.4 (8) | C16—C17—C21 | 116.6 (15) |
O4—W4—O17 | 100.4 (8) | C19—C18—C16 | 119.8 (18) |
O14—W4—O17 | 158.5 (9) | C19—C18—H18A | 120.1 |
O10—W4—O17 | 86.0 (7) | C16—C18—H18A | 120.1 |
O13—W4—O17 | 87.1 (7) | C18—C19—C20 | 119.5 (17) |
O4—W4—O21i | 155.7 (8) | C18—C19—H19A | 120.3 |
O14—W4—O21i | 62.2 (9) | C20—C19—H19A | 120.3 |
O10—W4—O21i | 62.9 (8) | C22—C20—C19 | 122.9 (15) |
O13—W4—O21i | 96.9 (9) | C22—C20—C21 | 116.8 (14) |
O17—W4—O21i | 97.5 (8) | C19—C20—C21 | 120.2 (15) |
O4—W4—O20 | 153.5 (8) | N4—C21—C20 | 121.3 (15) |
O14—W4—O20 | 99.5 (9) | N4—C21—C17 | 117.3 (13) |
O10—W4—O20 | 94.5 (8) | C20—C21—C17 | 121.4 (15) |
O13—W4—O20 | 63.6 (8) | C23—C22—C20 | 121.4 (16) |
O17—W4—O20 | 60.0 (8) | C23—C22—H22A | 119.3 |
O21i—W4—O20 | 50.7 (8) | C20—C22—H22A | 119.3 |
O5—W5—O17 | 102.7 (10) | C22—C23—C24 | 115.1 (18) |
O5—W5—O18 | 100.8 (8) | C22—C23—H23A | 122.4 |
O17—W5—O18 | 88.3 (6) | C24—C23—H23A | 122.4 |
O5—W5—O12 | 100.2 (10) | N4—C24—C23 | 126.1 (19) |
O17—W5—O12 | 90.5 (6) | N4—C24—H24A | 116.9 |
O18—W5—O12 | 158.7 (9) | C23—C24—H24A | 116.9 |
O5—W5—O15 | 98.4 (9) | N5—C25—C26 | 121 (2) |
O17—W5—O15 | 158.9 (8) | N5—C25—H25A | 119.3 |
O18—W5—O15 | 87.9 (6) | C26—C25—H25A | 119.3 |
O12—W5—O15 | 85.6 (7) | C27—C26—C25 | 120.5 (19) |
O5—W5—O20 | 157.3 (10) | C27—C26—H26A | 119.8 |
O17—W5—O20 | 62.8 (9) | C25—C26—H26A | 119.8 |
O18—W5—O20 | 96.3 (8) | C26—C27—C28 | 118.5 (19) |
O12—W5—O20 | 64.5 (9) | C26—C27—H27A | 120.8 |
O15—W5—O20 | 97.0 (8) | C28—C27—H27A | 120.8 |
O5—W5—O22i | 156.6 (10) | C27—C28—C29 | 117.2 (17) |
O17—W5—O22i | 94.9 (9) | C27—C28—C30 | 124.3 (18) |
O18—W5—O22i | 64.2 (7) | C29—C28—C30 | 118.5 (18) |
O12—W5—O22i | 94.8 (9) | N5—C29—C28 | 123.5 (16) |
O15—W5—O22i | 64.8 (7) | N5—C29—C33 | 116.1 (15) |
O20—W5—O22i | 46.0 (8) | C28—C29—C33 | 120.4 (17) |
O6—W6—O11 | 102.4 (9) | C31—C30—C28 | 121 (2) |
O6—W6—O15 | 99.9 (8) | C31—C30—H30A | 119.6 |
O11—W6—O15 | 88.9 (8) | C28—C30—H30A | 119.6 |
O6—W6—O16 | 99.5 (8) | C30—C31—C32 | 122 (2) |
O11—W6—O16 | 158.1 (8) | C30—C31—H31A | 119.2 |
O15—W6—O16 | 88.8 (7) | C32—C31—H31A | 119.2 |
O6—W6—O14i | 101.1 (9) | C34—C32—C33 | 121.4 (18) |
O11—W6—O14i | 88.2 (7) | C34—C32—C31 | 120.3 (18) |
O15—W6—O14i | 159.0 (9) | C33—C32—C31 | 118.2 (18) |
O16—W6—O14i | 86.2 (7) | C32—C33—N6 | 119.9 (17) |
O6—W6—O21 | 154.9 (9) | C32—C33—C29 | 120.5 (18) |
O11—W6—O21 | 63.4 (8) | N6—C33—C29 | 119.6 (14) |
O15—W6—O21 | 100.3 (9) | C32—C34—C35 | 117 (2) |
O16—W6—O21 | 95.7 (8) | C32—C34—H34A | 121.7 |
O14i—W6—O21 | 60.0 (10) | C35—C34—H34A | 121.7 |
O6—W6—O22i | 154.6 (8) | C34—C35—C36 | 119 (2) |
O11—W6—O22i | 95.6 (8) | C34—C35—H35A | 120.7 |
O15—W6—O22i | 62.4 (7) | C36—C35—H35A | 120.7 |
O16—W6—O22i | 64.2 (7) | N6—C36—C35 | 126 (2) |
O14i—W6—O22i | 97.2 (9) | N6—C36—H36A | 116.9 |
O21—W6—O22i | 50.4 (8) | C35—C36—H36A | 116.9 |
W3—O7—W2 | 132.0 (9) |
Symmetry code: (i) −x, −y, −z. |