| Literature DB >> 21587692 |
Ying Liu1, Xianxi Zhang, Zechun Xue, Jian Sheng.
Abstract
In the title compound, [Co(C(10)H(8)N(2))(3)][Mo(6)O(19)], the Co(2+) cation is surrounded in a distorted octa-hedral coordination by six N atoms from three 2,2'-bipyridine ligands. The distribution of Mo-O bond lengths in the Lindqvist isopolyanion is consistent with other structures containing the same unit. In the crystal, the cations and anions are linked by C-H⋯O inter-actions.Entities:
Year: 2010 PMID: 21587692 PMCID: PMC3006945 DOI: 10.1107/S1600536810020775
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Co(C10H8N2)3][Mo6O19] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 2413 reflections |
| θ = 2.4–24.3° | |
| µ = 2.35 mm−1 | |
| β = 100.895 (3)° | Block, red |
| 0.12 × 0.10 × 0.08 mm | |
| Bruker APEXII CCD diffractometer | 6500 independent reflections |
| Radiation source: fine-focus sealed tube | 4649 reflections with |
| graphite | |
| φ and ω scans | θmax = 24.5°, θmin = 2.2° |
| Absorption correction: multi-scan ( | |
| 25652 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 6500 reflections | (Δ/σ)max = 0.003 |
| 559 parameters | Δρmax = 0.65 e Å−3 |
| 0 restraints | Δρmin = −0.54 e Å−3 |
| Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
| Refinement. Refinement of |
| C1 | 0.8841 (6) | 0.1849 (4) | 0.0079 (4) | 0.0458 (17) | |
| H1 | 0.8962 | 0.1371 | 0.0008 | 0.055* | |
| C2 | 0.9125 (6) | 0.2314 (4) | −0.0452 (4) | 0.0523 (19) | |
| H2 | 0.9438 | 0.2154 | −0.0873 | 0.063* | |
| C3 | 0.8947 (7) | 0.3012 (4) | −0.0362 (4) | 0.061 (2) | |
| H3 | 0.9130 | 0.3336 | −0.0723 | 0.073* | |
| C4 | 0.8498 (6) | 0.3235 (4) | 0.0264 (4) | 0.0526 (19) | |
| H4 | 0.8378 | 0.3712 | 0.0338 | 0.063* | |
| C5 | 0.8221 (5) | 0.2735 (3) | 0.0793 (4) | 0.0395 (15) | |
| C6 | 0.7754 (5) | 0.2926 (3) | 0.1498 (4) | 0.0355 (14) | |
| C7 | 0.7683 (6) | 0.3610 (3) | 0.1751 (4) | 0.0478 (17) | |
| H7 | 0.7896 | 0.3982 | 0.1461 | 0.057* | |
| C8 | 0.7294 (6) | 0.3736 (4) | 0.2435 (4) | 0.0554 (19) | |
| H8 | 0.7250 | 0.4196 | 0.2615 | 0.066* | |
| C9 | 0.6975 (5) | 0.3189 (4) | 0.2848 (4) | 0.0472 (17) | |
| H9 | 0.6711 | 0.3265 | 0.3315 | 0.057* | |
| C10 | 0.7051 (5) | 0.2527 (4) | 0.2561 (4) | 0.0425 (16) | |
| H10 | 0.6830 | 0.2152 | 0.2843 | 0.051* | |
| C11 | 0.5497 (5) | 0.1943 (4) | 0.0374 (4) | 0.0478 (17) | |
| H11 | 0.5492 | 0.2282 | 0.0765 | 0.057* | |
| C12 | 0.4747 (6) | 0.1997 (5) | −0.0318 (5) | 0.063 (2) | |
| H12 | 0.4248 | 0.2369 | −0.0398 | 0.076* | |
| C13 | 0.4737 (7) | 0.1496 (5) | −0.0891 (5) | 0.078 (3) | |
| H13 | 0.4225 | 0.1521 | −0.1364 | 0.094* | |
| C14 | 0.5478 (6) | 0.0964 (5) | −0.0764 (4) | 0.065 (2) | |
| H14 | 0.5484 | 0.0622 | −0.1151 | 0.078* | |
| C15 | 0.6226 (5) | 0.0931 (4) | −0.0056 (4) | 0.0427 (16) | |
| C16 | 0.7059 (6) | 0.0373 (3) | 0.0130 (4) | 0.0447 (16) | |
| C17 | 0.7080 (7) | −0.0232 (4) | −0.0324 (5) | 0.067 (2) | |
| H17 | 0.6542 | −0.0295 | −0.0779 | 0.080* | |
| C18 | 0.7867 (8) | −0.0727 (4) | −0.0117 (6) | 0.079 (3) | |
| H18 | 0.7881 | −0.1130 | −0.0423 | 0.095* | |
| C19 | 0.8636 (7) | −0.0623 (4) | 0.0551 (5) | 0.063 (2) | |
| H19 | 0.9189 | −0.0955 | 0.0709 | 0.076* | |
| C20 | 0.8592 (6) | −0.0022 (4) | 0.0993 (4) | 0.0542 (19) | |
| H20 | 0.9124 | 0.0043 | 0.1450 | 0.065* | |
| C21 | 1.0059 (5) | 0.1421 (3) | 0.2316 (4) | 0.0452 (17) | |
| H21 | 1.0236 | 0.1587 | 0.1845 | 0.054* | |
| C22 | 1.0883 (6) | 0.1384 (4) | 0.2973 (4) | 0.0529 (19) | |
| H22 | 1.1604 | 0.1515 | 0.2949 | 0.063* | |
| C23 | 0.9551 (5) | 0.0950 (4) | 0.3682 (4) | 0.0472 (17) | |
| H23 | 0.9360 | 0.0791 | 0.4151 | 0.057* | |
| C24 | 0.8764 (5) | 0.0987 (3) | 0.2994 (3) | 0.0329 (14) | |
| C25 | 0.7600 (5) | 0.0778 (3) | 0.2945 (4) | 0.0330 (14) | |
| C26 | 0.7195 (6) | 0.0507 (3) | 0.3593 (4) | 0.0454 (17) | |
| H26 | 0.7657 | 0.0443 | 0.4083 | 0.054* | |
| C27 | 0.6079 (6) | 0.0339 (4) | 0.3479 (4) | 0.0519 (18) | |
| H27 | 0.5784 | 0.0159 | 0.3898 | 0.062* | |
| C28 | 0.5422 (6) | 0.0433 (4) | 0.2765 (4) | 0.0511 (18) | |
| H28 | 0.4675 | 0.0316 | 0.2686 | 0.061* | |
| C29 | 0.5867 (5) | 0.0701 (4) | 0.2165 (4) | 0.0451 (17) | |
| H29 | 0.5410 | 0.0771 | 0.1673 | 0.054* | |
| C30 | 1.0613 (6) | 0.1148 (4) | 0.3668 (5) | 0.0531 (19) | |
| H30 | 1.1151 | 0.1124 | 0.4128 | 0.064* | |
| Co1 | 0.76522 (6) | 0.13938 (4) | 0.14146 (4) | 0.02958 (19) | |
| Mo1 | 0.62552 (4) | 0.16746 (3) | 0.70535 (3) | 0.03880 (16) | |
| Mo2 | 0.68058 (5) | 0.03933 (3) | 0.59227 (3) | 0.03863 (15) | |
| Mo3 | 0.93267 (4) | 0.09804 (3) | 0.60537 (3) | 0.04001 (16) | |
| Mo4 | 0.72000 (5) | 0.20190 (3) | 0.54351 (3) | 0.04164 (16) | |
| Mo5 | 0.87672 (5) | 0.22739 (3) | 0.71735 (4) | 0.04679 (17) | |
| Mo6 | 0.83628 (5) | 0.06397 (3) | 0.76648 (3) | 0.04393 (17) | |
| N1 | 0.8397 (4) | 0.2045 (3) | 0.0694 (3) | 0.0371 (12) | |
| N2 | 0.7428 (4) | 0.2385 (3) | 0.1891 (3) | 0.0355 (12) | |
| N3 | 0.6238 (4) | 0.1425 (3) | 0.0512 (3) | 0.0421 (13) | |
| N4 | 0.7816 (4) | 0.0472 (3) | 0.0790 (3) | 0.0401 (13) | |
| N5 | 0.6935 (4) | 0.0870 (3) | 0.2251 (3) | 0.0395 (13) | |
| N6 | 0.9018 (4) | 0.1232 (3) | 0.2313 (3) | 0.0373 (12) | |
| O1 | 0.6778 (4) | 0.2537 (3) | 0.4646 (3) | 0.0632 (14) | |
| O2 | 0.8518 (4) | 0.1606 (2) | 0.5229 (3) | 0.0467 (11) | |
| O3 | 0.6467 (3) | 0.1147 (2) | 0.5161 (2) | 0.0424 (11) | |
| O4 | 0.9808 (3) | 0.1811 (2) | 0.6620 (3) | 0.0492 (12) | |
| O5 | 0.8119 (4) | 0.2659 (2) | 0.6171 (3) | 0.0518 (12) | |
| O6 | 0.9511 (4) | 0.2935 (3) | 0.7643 (3) | 0.0744 (17) | |
| O7 | 0.6093 (3) | 0.2189 (2) | 0.6099 (3) | 0.0447 (11) | |
| O8 | 0.7392 (4) | 0.2354 (2) | 0.7496 (3) | 0.0494 (12) | |
| O9 | 0.5168 (4) | 0.1929 (3) | 0.7438 (3) | 0.0539 (12) | |
| O10 | 0.7046 (3) | 0.1044 (2) | 0.7871 (3) | 0.0484 (12) | |
| O11 | 0.9111 (4) | 0.1509 (3) | 0.7929 (3) | 0.0518 (12) | |
| O12 | 0.7786 (3) | 0.13302 (19) | 0.6550 (2) | 0.0329 (9) | |
| O13 | 0.5755 (3) | 0.0853 (2) | 0.6474 (3) | 0.0419 (11) | |
| O14 | 0.8815 (4) | 0.0131 (3) | 0.8463 (3) | 0.0705 (16) | |
| O15 | 0.7458 (4) | 0.0007 (2) | 0.6930 (3) | 0.0485 (12) | |
| O16 | 0.9500 (3) | 0.0484 (2) | 0.7010 (3) | 0.0475 (12) | |
| O17 | 0.6077 (4) | −0.0283 (2) | 0.5469 (3) | 0.0600 (14) | |
| O18 | 0.8188 (3) | 0.0303 (2) | 0.5606 (2) | 0.0438 (11) | |
| O19 | 1.0407 (4) | 0.0735 (3) | 0.5655 (3) | 0.0565 (13) |
| C1 | 0.057 (4) | 0.042 (4) | 0.041 (4) | −0.006 (3) | 0.017 (3) | −0.004 (3) |
| C2 | 0.064 (5) | 0.061 (5) | 0.034 (4) | −0.010 (4) | 0.015 (4) | −0.004 (4) |
| C3 | 0.086 (6) | 0.055 (5) | 0.043 (4) | −0.018 (4) | 0.015 (4) | 0.010 (4) |
| C4 | 0.079 (5) | 0.036 (4) | 0.041 (4) | −0.006 (4) | 0.006 (4) | 0.006 (3) |
| C5 | 0.036 (4) | 0.048 (4) | 0.032 (4) | −0.004 (3) | 0.001 (3) | 0.002 (3) |
| C6 | 0.036 (4) | 0.033 (4) | 0.034 (4) | −0.003 (3) | −0.002 (3) | −0.001 (3) |
| C7 | 0.061 (5) | 0.030 (4) | 0.050 (4) | −0.001 (3) | 0.006 (4) | −0.002 (3) |
| C8 | 0.064 (5) | 0.042 (4) | 0.057 (5) | 0.009 (4) | 0.003 (4) | −0.016 (4) |
| C9 | 0.049 (4) | 0.049 (4) | 0.043 (4) | 0.009 (3) | 0.008 (3) | −0.011 (4) |
| C10 | 0.043 (4) | 0.055 (4) | 0.029 (4) | 0.011 (3) | 0.005 (3) | 0.005 (3) |
| C11 | 0.048 (4) | 0.055 (4) | 0.040 (4) | 0.011 (4) | 0.009 (3) | −0.003 (3) |
| C12 | 0.043 (4) | 0.089 (6) | 0.056 (5) | 0.028 (4) | 0.007 (4) | 0.004 (5) |
| C13 | 0.045 (5) | 0.128 (8) | 0.056 (5) | 0.025 (5) | −0.001 (4) | −0.008 (6) |
| C14 | 0.053 (5) | 0.091 (6) | 0.048 (5) | 0.005 (5) | 0.002 (4) | −0.022 (4) |
| C15 | 0.036 (4) | 0.054 (4) | 0.038 (4) | −0.008 (3) | 0.006 (3) | −0.006 (3) |
| C16 | 0.055 (4) | 0.035 (4) | 0.048 (4) | −0.009 (3) | 0.017 (4) | −0.003 (3) |
| C17 | 0.083 (6) | 0.051 (5) | 0.060 (5) | −0.005 (4) | 0.000 (4) | −0.018 (4) |
| C18 | 0.115 (8) | 0.039 (5) | 0.087 (7) | 0.003 (5) | 0.029 (6) | −0.021 (5) |
| C19 | 0.076 (6) | 0.040 (4) | 0.080 (6) | 0.011 (4) | 0.030 (5) | 0.004 (4) |
| C20 | 0.055 (5) | 0.050 (5) | 0.057 (5) | 0.012 (4) | 0.011 (4) | 0.006 (4) |
| C21 | 0.046 (4) | 0.041 (4) | 0.050 (4) | −0.004 (3) | 0.013 (3) | 0.005 (3) |
| C22 | 0.038 (4) | 0.048 (4) | 0.068 (5) | −0.006 (3) | 0.000 (4) | 0.006 (4) |
| C23 | 0.047 (4) | 0.051 (4) | 0.040 (4) | 0.007 (3) | 0.000 (3) | 0.004 (3) |
| C24 | 0.045 (4) | 0.025 (3) | 0.029 (3) | 0.005 (3) | 0.008 (3) | −0.001 (3) |
| C25 | 0.039 (4) | 0.026 (3) | 0.034 (4) | −0.001 (3) | 0.008 (3) | −0.005 (3) |
| C26 | 0.056 (5) | 0.045 (4) | 0.036 (4) | −0.001 (3) | 0.011 (3) | 0.003 (3) |
| C27 | 0.058 (5) | 0.054 (4) | 0.049 (4) | −0.008 (4) | 0.022 (4) | 0.004 (4) |
| C28 | 0.043 (4) | 0.057 (5) | 0.055 (5) | −0.011 (3) | 0.013 (4) | 0.003 (4) |
| C29 | 0.039 (4) | 0.057 (4) | 0.037 (4) | −0.010 (3) | 0.003 (3) | 0.004 (3) |
| C30 | 0.042 (4) | 0.046 (4) | 0.065 (5) | 0.002 (3) | −0.006 (4) | 0.005 (4) |
| Co1 | 0.0301 (4) | 0.0305 (4) | 0.0280 (4) | −0.0009 (3) | 0.0050 (3) | 0.0012 (3) |
| Mo1 | 0.0331 (3) | 0.0401 (3) | 0.0451 (3) | 0.0020 (2) | 0.0123 (3) | −0.0020 (3) |
| Mo2 | 0.0368 (3) | 0.0331 (3) | 0.0451 (4) | −0.0059 (2) | 0.0056 (3) | −0.0064 (3) |
| Mo3 | 0.0320 (3) | 0.0490 (4) | 0.0402 (3) | 0.0000 (3) | 0.0099 (3) | −0.0069 (3) |
| Mo4 | 0.0430 (3) | 0.0396 (3) | 0.0428 (3) | 0.0011 (3) | 0.0094 (3) | 0.0095 (3) |
| Mo5 | 0.0413 (3) | 0.0481 (4) | 0.0522 (4) | −0.0139 (3) | 0.0117 (3) | −0.0186 (3) |
| Mo6 | 0.0384 (3) | 0.0556 (4) | 0.0369 (3) | 0.0076 (3) | 0.0049 (3) | 0.0077 (3) |
| N1 | 0.042 (3) | 0.039 (3) | 0.030 (3) | −0.003 (2) | 0.007 (2) | −0.002 (2) |
| N2 | 0.036 (3) | 0.041 (3) | 0.028 (3) | 0.001 (2) | 0.001 (2) | 0.001 (2) |
| N3 | 0.037 (3) | 0.045 (3) | 0.045 (3) | 0.001 (3) | 0.008 (3) | 0.003 (3) |
| N4 | 0.040 (3) | 0.038 (3) | 0.042 (3) | −0.001 (2) | 0.007 (3) | 0.000 (3) |
| N5 | 0.042 (3) | 0.037 (3) | 0.039 (3) | −0.004 (2) | 0.006 (3) | 0.004 (2) |
| N6 | 0.035 (3) | 0.036 (3) | 0.040 (3) | −0.005 (2) | 0.005 (2) | 0.003 (2) |
| O1 | 0.063 (3) | 0.067 (3) | 0.060 (3) | 0.004 (3) | 0.014 (3) | 0.027 (3) |
| O2 | 0.046 (3) | 0.053 (3) | 0.044 (3) | −0.002 (2) | 0.015 (2) | 0.002 (2) |
| O3 | 0.035 (2) | 0.049 (3) | 0.039 (3) | −0.003 (2) | −0.004 (2) | 0.001 (2) |
| O4 | 0.036 (3) | 0.062 (3) | 0.049 (3) | −0.012 (2) | 0.007 (2) | −0.014 (2) |
| O5 | 0.054 (3) | 0.032 (2) | 0.073 (3) | −0.008 (2) | 0.019 (3) | 0.003 (2) |
| O6 | 0.063 (3) | 0.069 (4) | 0.090 (4) | −0.023 (3) | 0.012 (3) | −0.036 (3) |
| O7 | 0.041 (3) | 0.040 (3) | 0.054 (3) | 0.005 (2) | 0.011 (2) | 0.004 (2) |
| O8 | 0.044 (3) | 0.051 (3) | 0.056 (3) | −0.001 (2) | 0.015 (2) | −0.021 (2) |
| O9 | 0.039 (3) | 0.066 (3) | 0.061 (3) | 0.006 (2) | 0.018 (2) | 0.000 (3) |
| O10 | 0.043 (3) | 0.064 (3) | 0.042 (3) | 0.007 (2) | 0.016 (2) | 0.009 (2) |
| O11 | 0.040 (3) | 0.070 (3) | 0.043 (3) | −0.004 (2) | 0.003 (2) | −0.012 (2) |
| O12 | 0.032 (2) | 0.031 (2) | 0.038 (2) | −0.0016 (18) | 0.0104 (18) | −0.0038 (19) |
| O13 | 0.034 (2) | 0.038 (2) | 0.054 (3) | −0.0053 (19) | 0.008 (2) | 0.001 (2) |
| O14 | 0.056 (3) | 0.096 (4) | 0.057 (3) | 0.017 (3) | 0.006 (3) | 0.026 (3) |
| O15 | 0.050 (3) | 0.036 (2) | 0.059 (3) | −0.001 (2) | 0.008 (2) | 0.010 (2) |
| O16 | 0.039 (3) | 0.059 (3) | 0.043 (3) | 0.007 (2) | 0.005 (2) | −0.001 (2) |
| O17 | 0.057 (3) | 0.043 (3) | 0.079 (4) | −0.010 (2) | 0.008 (3) | −0.018 (3) |
| O18 | 0.044 (3) | 0.044 (3) | 0.043 (3) | 0.004 (2) | 0.008 (2) | −0.010 (2) |
| O19 | 0.041 (3) | 0.080 (4) | 0.050 (3) | 0.006 (2) | 0.014 (2) | −0.009 (3) |
| C1—N1 | 1.330 (8) | C25—C26 | 1.398 (8) |
| C1—C2 | 1.361 (9) | C26—C27 | 1.387 (9) |
| C1—H1 | 0.9300 | C26—H26 | 0.9300 |
| C2—C3 | 1.358 (10) | C27—C28 | 1.346 (9) |
| C2—H2 | 0.9300 | C27—H27 | 0.9300 |
| C3—C4 | 1.364 (10) | C28—C29 | 1.354 (9) |
| C3—H3 | 0.9300 | C28—H28 | 0.9300 |
| C4—C5 | 1.400 (9) | C29—N5 | 1.334 (8) |
| C4—H4 | 0.9300 | C29—H29 | 0.9300 |
| C5—N1 | 1.343 (8) | C30—H30 | 0.9300 |
| C5—C6 | 1.479 (8) | Co1—N5 | 2.075 (5) |
| C6—N2 | 1.331 (7) | Co1—N6 | 2.078 (5) |
| C6—C7 | 1.376 (8) | Co1—N1 | 2.079 (5) |
| C7—C8 | 1.367 (9) | Co1—N4 | 2.081 (5) |
| C7—H7 | 0.9300 | Co1—N2 | 2.091 (5) |
| C8—C9 | 1.358 (10) | Co1—N3 | 2.100 (5) |
| C8—H8 | 0.9300 | Mo1—O9 | 1.671 (4) |
| C9—C10 | 1.359 (9) | Mo1—O7 | 1.884 (4) |
| C9—H9 | 0.9300 | Mo1—O13 | 1.888 (4) |
| C10—N2 | 1.345 (7) | Mo1—O8 | 1.948 (4) |
| C10—H10 | 0.9300 | Mo1—O10 | 1.957 (4) |
| C11—N3 | 1.331 (8) | Mo1—O12 | 2.310 (4) |
| C11—C12 | 1.362 (9) | Mo2—O17 | 1.671 (4) |
| C11—H11 | 0.9300 | Mo2—O18 | 1.888 (4) |
| C12—C13 | 1.366 (11) | Mo2—O15 | 1.909 (4) |
| C12—H12 | 0.9300 | Mo2—O3 | 1.929 (4) |
| C13—C14 | 1.350 (11) | Mo2—O13 | 1.948 (4) |
| C13—H13 | 0.9300 | Mo2—O12 | 2.299 (4) |
| C14—C15 | 1.379 (9) | Mo3—O19 | 1.673 (4) |
| C14—H14 | 0.9300 | Mo3—O16 | 1.868 (4) |
| C15—N3 | 1.350 (8) | Mo3—O4 | 1.888 (4) |
| C15—C16 | 1.467 (9) | Mo3—O18 | 1.950 (4) |
| C16—N4 | 1.336 (8) | Mo3—O2 | 1.968 (4) |
| C16—C17 | 1.390 (9) | Mo3—O12 | 2.318 (4) |
| C17—C18 | 1.349 (11) | Mo4—O1 | 1.673 (5) |
| C17—H17 | 0.9300 | Mo4—O2 | 1.894 (4) |
| C18—C19 | 1.354 (11) | Mo4—O3 | 1.900 (4) |
| C18—H18 | 0.9300 | Mo4—O5 | 1.951 (5) |
| C19—C20 | 1.377 (10) | Mo4—O7 | 1.961 (4) |
| C19—H19 | 0.9300 | Mo4—O12 | 2.316 (4) |
| C20—N4 | 1.336 (8) | Mo5—O6 | 1.669 (5) |
| C20—H20 | 0.9300 | Mo5—O8 | 1.884 (4) |
| C21—N6 | 1.330 (8) | Mo5—O5 | 1.900 (5) |
| C21—C22 | 1.368 (9) | Mo5—O11 | 1.939 (5) |
| C21—H21 | 0.9300 | Mo5—O4 | 1.943 (4) |
| C22—C30 | 1.373 (10) | Mo5—O12 | 2.307 (4) |
| C22—H22 | 0.9300 | Mo6—O14 | 1.682 (5) |
| C23—C30 | 1.365 (9) | Mo6—O10 | 1.887 (4) |
| C23—C24 | 1.379 (8) | Mo6—O11 | 1.902 (5) |
| C23—H23 | 0.9300 | Mo6—O15 | 1.934 (4) |
| C24—N6 | 1.347 (7) | Mo6—O16 | 1.976 (4) |
| C24—C25 | 1.474 (8) | Mo6—O12 | 2.316 (4) |
| C25—N5 | 1.323 (7) | ||
| N1—C1—C2 | 123.1 (7) | O17—Mo2—O18 | 103.3 (2) |
| N1—C1—H1 | 118.5 | O17—Mo2—O15 | 102.9 (2) |
| C2—C1—H1 | 118.5 | O18—Mo2—O15 | 88.73 (19) |
| C3—C2—C1 | 119.3 (7) | O17—Mo2—O3 | 103.1 (2) |
| C3—C2—H2 | 120.3 | O18—Mo2—O3 | 87.96 (18) |
| C1—C2—H2 | 120.3 | O15—Mo2—O3 | 153.89 (18) |
| C2—C3—C4 | 119.4 (7) | O17—Mo2—O13 | 102.9 (2) |
| C2—C3—H3 | 120.3 | O18—Mo2—O13 | 153.82 (17) |
| C4—C3—H3 | 120.3 | O15—Mo2—O13 | 86.36 (19) |
| C3—C4—C5 | 119.0 (7) | O3—Mo2—O13 | 85.28 (18) |
| C3—C4—H4 | 120.5 | O17—Mo2—O12 | 179.2 (2) |
| C5—C4—H4 | 120.5 | O18—Mo2—O12 | 77.50 (15) |
| N1—C5—C4 | 120.9 (6) | O15—Mo2—O12 | 77.28 (16) |
| N1—C5—C6 | 116.1 (5) | O3—Mo2—O12 | 76.72 (16) |
| C4—C5—C6 | 123.0 (6) | O13—Mo2—O12 | 76.34 (15) |
| N2—C6—C7 | 121.6 (6) | O19—Mo3—O16 | 104.5 (2) |
| N2—C6—C5 | 115.2 (5) | O19—Mo3—O4 | 104.3 (2) |
| C7—C6—C5 | 123.2 (6) | O16—Mo3—O4 | 89.9 (2) |
| C8—C7—C6 | 119.3 (7) | O19—Mo3—O18 | 102.9 (2) |
| C8—C7—H7 | 120.4 | O16—Mo3—O18 | 88.10 (19) |
| C6—C7—H7 | 120.4 | O4—Mo3—O18 | 152.37 (18) |
| C9—C8—C7 | 119.8 (6) | O19—Mo3—O2 | 102.0 (2) |
| C9—C8—H8 | 120.1 | O16—Mo3—O2 | 153.38 (18) |
| C7—C8—H8 | 120.1 | O4—Mo3—O2 | 86.13 (19) |
| C8—C9—C10 | 118.1 (6) | O18—Mo3—O2 | 83.50 (18) |
| C8—C9—H9 | 120.9 | O19—Mo3—O12 | 177.44 (19) |
| C10—C9—H9 | 120.9 | O16—Mo3—O12 | 77.75 (16) |
| N2—C10—C9 | 123.6 (6) | O4—Mo3—O12 | 76.77 (16) |
| N2—C10—H10 | 118.2 | O18—Mo3—O12 | 75.87 (15) |
| C9—C10—H10 | 118.2 | O2—Mo3—O12 | 75.71 (16) |
| N3—C11—C12 | 122.6 (7) | O1—Mo4—O2 | 103.8 (2) |
| N3—C11—H11 | 118.7 | O1—Mo4—O3 | 104.5 (2) |
| C12—C11—H11 | 118.7 | O2—Mo4—O3 | 88.71 (19) |
| C13—C12—C11 | 119.1 (7) | O1—Mo4—O5 | 102.2 (2) |
| C13—C12—H12 | 120.5 | O2—Mo4—O5 | 88.06 (19) |
| C11—C12—H12 | 120.5 | O3—Mo4—O5 | 153.15 (18) |
| C14—C13—C12 | 119.4 (7) | O1—Mo4—O7 | 103.3 (2) |
| C14—C13—H13 | 120.3 | O2—Mo4—O7 | 152.92 (18) |
| C12—C13—H13 | 120.3 | O3—Mo4—O7 | 86.39 (18) |
| C13—C14—C15 | 119.6 (7) | O5—Mo4—O7 | 84.46 (19) |
| C13—C14—H14 | 120.2 | O1—Mo4—O12 | 178.4 (2) |
| C15—C14—H14 | 120.2 | O2—Mo4—O12 | 77.12 (16) |
| N3—C15—C14 | 121.2 (7) | O3—Mo4—O12 | 76.83 (15) |
| N3—C15—C16 | 115.6 (6) | O5—Mo4—O12 | 76.46 (16) |
| C14—C15—C16 | 123.2 (6) | O7—Mo4—O12 | 75.83 (15) |
| N4—C16—C17 | 120.5 (7) | O6—Mo5—O8 | 103.8 (2) |
| N4—C16—C15 | 115.5 (6) | O6—Mo5—O5 | 104.2 (2) |
| C17—C16—C15 | 124.0 (7) | O8—Mo5—O5 | 89.3 (2) |
| C18—C17—C16 | 121.0 (8) | O6—Mo5—O11 | 102.1 (3) |
| C18—C17—H17 | 119.5 | O8—Mo5—O11 | 87.6 (2) |
| C16—C17—H17 | 119.5 | O5—Mo5—O11 | 153.44 (19) |
| C17—C18—C19 | 118.2 (8) | O6—Mo5—O4 | 102.9 (2) |
| C17—C18—H18 | 120.9 | O8—Mo5—O4 | 153.17 (18) |
| C19—C18—H18 | 120.9 | O5—Mo5—O4 | 86.3 (2) |
| C18—C19—C20 | 119.6 (8) | O11—Mo5—O4 | 84.69 (19) |
| C18—C19—H19 | 120.2 | O6—Mo5—O12 | 177.9 (2) |
| C20—C19—H19 | 120.2 | O8—Mo5—O12 | 77.15 (16) |
| N4—C20—C19 | 122.6 (7) | O5—Mo5—O12 | 77.63 (16) |
| N4—C20—H20 | 118.7 | O11—Mo5—O12 | 75.97 (16) |
| C19—C20—H20 | 118.7 | O4—Mo5—O12 | 76.05 (15) |
| N6—C21—C22 | 123.6 (6) | O14—Mo6—O10 | 104.1 (2) |
| N6—C21—H21 | 118.2 | O14—Mo6—O11 | 103.5 (2) |
| C22—C21—H21 | 118.2 | O10—Mo6—O11 | 89.9 (2) |
| C21—C22—C30 | 117.9 (7) | O14—Mo6—O15 | 103.6 (2) |
| C21—C22—H22 | 121.0 | O10—Mo6—O15 | 88.0 (2) |
| C30—C22—H22 | 121.0 | O11—Mo6—O15 | 152.55 (19) |
| C30—C23—C24 | 119.4 (7) | O14—Mo6—O16 | 102.5 (2) |
| C30—C23—H23 | 120.3 | O10—Mo6—O16 | 153.36 (18) |
| C24—C23—H23 | 120.3 | O11—Mo6—O16 | 84.39 (19) |
| N6—C24—C23 | 121.2 (6) | O15—Mo6—O16 | 85.39 (19) |
| N6—C24—C25 | 115.2 (5) | O14—Mo6—O12 | 178.3 (2) |
| C23—C24—C25 | 123.6 (6) | O10—Mo6—O12 | 77.53 (16) |
| N5—C25—C26 | 120.7 (6) | O11—Mo6—O12 | 76.43 (17) |
| N5—C25—C24 | 116.5 (5) | O15—Mo6—O12 | 76.39 (15) |
| C26—C25—C24 | 122.9 (6) | O16—Mo6—O12 | 75.83 (16) |
| C27—C26—C25 | 117.7 (6) | C1—N1—C5 | 118.3 (5) |
| C27—C26—H26 | 121.2 | C1—N1—Co1 | 126.7 (4) |
| C25—C26—H26 | 121.2 | C5—N1—Co1 | 113.9 (4) |
| C28—C27—C26 | 120.5 (6) | C6—N2—C10 | 117.6 (6) |
| C28—C27—H27 | 119.8 | C6—N2—Co1 | 114.9 (4) |
| C26—C27—H27 | 119.8 | C10—N2—Co1 | 127.3 (4) |
| C27—C28—C29 | 118.8 (7) | C11—N3—C15 | 118.0 (6) |
| C27—C28—H28 | 120.6 | C11—N3—Co1 | 126.6 (5) |
| C29—C28—H28 | 120.6 | C15—N3—Co1 | 114.0 (4) |
| N5—C29—C28 | 122.6 (6) | C20—N4—C16 | 118.1 (6) |
| N5—C29—H29 | 118.7 | C20—N4—Co1 | 126.1 (5) |
| C28—C29—H29 | 118.7 | C16—N4—Co1 | 115.7 (4) |
| C23—C30—C22 | 119.7 (7) | C25—N5—C29 | 119.8 (5) |
| C23—C30—H30 | 120.2 | C25—N5—Co1 | 114.4 (4) |
| C22—C30—H30 | 120.2 | C29—N5—Co1 | 125.3 (4) |
| N5—Co1—N6 | 78.9 (2) | C21—N6—C24 | 118.1 (6) |
| N5—Co1—N1 | 171.4 (2) | C21—N6—Co1 | 127.3 (4) |
| N6—Co1—N1 | 98.20 (19) | C24—N6—Co1 | 114.0 (4) |
| N5—Co1—N4 | 92.8 (2) | Mo4—O2—Mo3 | 116.7 (2) |
| N6—Co1—N4 | 96.5 (2) | Mo4—O3—Mo2 | 116.5 (2) |
| N1—Co1—N4 | 95.6 (2) | Mo3—O4—Mo5 | 117.2 (2) |
| N5—Co1—N2 | 93.2 (2) | Mo5—O5—Mo4 | 116.0 (2) |
| N6—Co1—N2 | 89.51 (19) | Mo1—O7—Mo4 | 116.6 (2) |
| N1—Co1—N2 | 78.62 (19) | Mo5—O8—Mo1 | 116.8 (2) |
| N4—Co1—N2 | 172.2 (2) | Mo6—O10—Mo1 | 116.3 (2) |
| N5—Co1—N3 | 97.0 (2) | Mo6—O11—Mo5 | 117.1 (2) |
| N6—Co1—N3 | 173.0 (2) | Mo2—O12—Mo5 | 179.7 (2) |
| N1—Co1—N3 | 86.7 (2) | Mo2—O12—Mo1 | 90.06 (13) |
| N4—Co1—N3 | 78.0 (2) | Mo5—O12—Mo1 | 89.99 (13) |
| N2—Co1—N3 | 96.3 (2) | Mo2—O12—Mo4 | 89.78 (14) |
| O9—Mo1—O7 | 103.4 (2) | Mo5—O12—Mo4 | 89.91 (13) |
| O9—Mo1—O13 | 103.9 (2) | Mo1—O12—Mo4 | 90.02 (13) |
| O7—Mo1—O13 | 90.01 (18) | Mo2—O12—Mo6 | 90.04 (13) |
| O9—Mo1—O8 | 103.0 (2) | Mo5—O12—Mo6 | 90.27 (14) |
| O7—Mo1—O8 | 86.9 (2) | Mo1—O12—Mo6 | 89.78 (13) |
| O13—Mo1—O8 | 152.92 (17) | Mo4—O12—Mo6 | 179.7 (2) |
| O9—Mo1—O10 | 102.8 (2) | Mo2—O12—Mo3 | 90.00 (13) |
| O7—Mo1—O10 | 153.66 (18) | Mo5—O12—Mo3 | 89.96 (13) |
| O13—Mo1—O10 | 86.59 (19) | Mo1—O12—Mo3 | 179.6 (2) |
| O8—Mo1—O10 | 84.4 (2) | Mo4—O12—Mo3 | 90.40 (13) |
| O9—Mo1—O12 | 178.6 (2) | Mo6—O12—Mo3 | 89.79 (13) |
| O7—Mo1—O12 | 77.40 (16) | Mo1—O13—Mo2 | 116.4 (2) |
| O13—Mo1—O12 | 77.16 (15) | Mo2—O15—Mo6 | 116.3 (2) |
| O8—Mo1—O12 | 75.91 (15) | Mo3—O16—Mo6 | 116.6 (2) |
| O10—Mo1—O12 | 76.38 (15) | Mo2—O18—Mo3 | 116.5 (2) |
| H··· | ||||
| C2—H2···O11i | 0.93 | 2.36 | 3.166 (9) | 145 |
| C4—H4···O17ii | 0.93 | 2.52 | 3.165 (9) | 127 |
| C11—H11···O4iii | 0.93 | 2.51 | 3.400 (8) | 161 |
| C12—H12···O2iii | 0.93 | 2.47 | 3.277 (10) | 145 |
| C20—H20···O14iv | 0.93 | 2.53 | 3.159 (9) | 125 |
| C22—H22···O8v | 0.93 | 2.54 | 3.230 (9) | 132 |
| C26—H26···O18 | 0.93 | 2.58 | 3.459 (8) | 157 |
Selected bond lengths (Å)
| Co1—N5 | 2.075 (5) |
| Co1—N6 | 2.078 (5) |
| Co1—N1 | 2.079 (5) |
| Co1—N4 | 2.081 (5) |
| Co1—N2 | 2.091 (5) |
| Co1—N3 | 2.100 (5) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C2—H2⋯O11i | 0.93 | 2.36 | 3.166 (9) | 145 |
| C4—H4⋯O17ii | 0.93 | 2.52 | 3.165 (9) | 127 |
| C11—H11⋯O4iii | 0.93 | 2.51 | 3.400 (8) | 161 |
| C12—H12⋯O2iii | 0.93 | 2.47 | 3.277 (10) | 145 |
| C20—H20⋯O14iv | 0.93 | 2.53 | 3.159 (9) | 125 |
| C22—H22⋯O8v | 0.93 | 2.54 | 3.230 (9) | 132 |
| C26—H26⋯O18 | 0.93 | 2.58 | 3.459 (8) | 157 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .