| Literature DB >> 21579657 |
Peihai Wei, Dong Yuan, Wencai Zhu, Xiutang Zhang, Bo Hu.
Abstract
The asymmetric unit of the title compound, [Fe(C(8)H(7)N(3))(3)](2)[SiMo(14)O(44)], consists of a complex [Fe(C(8)H(7)N(3))(3)](2+) cation and half of a derivative of an α-Keggin-type anion, [SiMo(14)O(44)](4-). In the mixed-valent Mo(V/VI) anion, the α-Keggin type core is capped on two oppositely disposed tetra-gonal faces by additional (MoO(2)) units. The [SiMo(14)O(44)](4-) anion shows disorder. Two O atoms of the central SiO(4) group ( symmetry) are equally disordered about an inversion centre. Moreover, two of the outer bridging O atoms and the O atoms of the capping (MoO(2)) unit are likewise disordered. The Fe(2+) cation is surrounded in a slightly distorted octa-hedral coordination by six N atoms from three 3-(2-pyrid-yl)-1H-pyrazole ligands. N-H⋯O hydrogen bonding between the cations and anions leads to a consolidation of the structure.Entities:
Year: 2010 PMID: 21579657 PMCID: PMC2979929 DOI: 10.1107/S1600536810002412
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Fe(C8H7N3)3]2[SiMo14O44] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 7026 reflections |
| θ = 1.7–25.0° | |
| µ = 2.58 mm−1 | |
| β = 102.69 (3)° | Block, brown |
| 0.12 × 0.10 × 0.08 mm | |
| Bruker APEXII CCD diffractometer | 7026 independent reflections |
| Radiation source: fine-focus sealed tube | 4730 reflections with |
| graphite | |
| phi and ω scans | θmax = 25.0°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 27223 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 | |
| 7026 reflections | (Δ/σ)max = 0.001 |
| 638 parameters | Δρmax = 1.47 e Å−3 |
| 444 restraints | Δρmin = −1.51 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 |
| Occ. (<1) | |||||
| Si1 | 0.0000 | 0.5000 | 0.5000 | 0.0193 (8) | |
| Fe1 | 0.36074 (14) | 0.58896 (11) | 0.17093 (11) | 0.0497 (5) | |
| Mo1 | 0.20889 (7) | 0.55765 (6) | 0.41647 (5) | 0.0364 (3) | |
| Mo2 | −0.00697 (9) | 0.46521 (7) | 0.30342 (6) | 0.0431 (3) | |
| Mo3 | 0.33482 (8) | 0.44820 (7) | 0.54989 (6) | 0.0464 (3) | |
| Mo4 | 0.21554 (8) | 0.59444 (6) | 0.61448 (6) | 0.0408 (3) | |
| Mo5 | 0.05628 (8) | 0.70722 (6) | 0.47289 (6) | 0.0389 (3) | |
| Mo6 | −0.16040 (7) | 0.61555 (6) | 0.35957 (6) | 0.0378 (3) | |
| Mo7 | −0.14918 (7) | 0.65270 (6) | 0.55885 (5) | 0.0339 (3) | |
| C1 | 0.5226 (13) | 0.7541 (10) | 0.3320 (9) | 0.080 (5) | |
| H1 | 0.5807 | 0.7807 | 0.3592 | 0.096* | |
| C2 | 0.4230 (13) | 0.7709 (10) | 0.3329 (9) | 0.074 (4) | |
| H2 | 0.3975 | 0.8084 | 0.3611 | 0.088* | |
| C3 | 0.3659 (11) | 0.7178 (8) | 0.2806 (7) | 0.055 (3) | |
| C4 | 0.2536 (10) | 0.7064 (8) | 0.2539 (7) | 0.048 (3) | |
| C5 | 0.1772 (11) | 0.7481 (9) | 0.2789 (8) | 0.060 (4) | |
| H5 | 0.1956 | 0.7867 | 0.3151 | 0.072* | |
| C6 | 0.0709 (12) | 0.7310 (10) | 0.2481 (9) | 0.069 (4) | |
| H6 | 0.0182 | 0.7576 | 0.2648 | 0.082* | |
| C7 | 0.0462 (12) | 0.6771 (10) | 0.1956 (9) | 0.070 (4) | |
| H7 | −0.0240 | 0.6661 | 0.1752 | 0.084* | |
| C8 | 0.1236 (11) | 0.6369 (9) | 0.1708 (8) | 0.063 (4) | |
| H8 | 0.1044 | 0.5995 | 0.1336 | 0.076* | |
| C9 | 0.4257 (14) | 0.7723 (10) | 0.0181 (9) | 0.079 (5) | |
| H9 | 0.4153 | 0.8194 | −0.0084 | 0.095* | |
| C10 | 0.5155 (13) | 0.7282 (10) | 0.0337 (8) | 0.072 (4) | |
| H10 | 0.5774 | 0.7377 | 0.0181 | 0.086* | |
| C11 | 0.4943 (11) | 0.6643 (8) | 0.0791 (7) | 0.053 (3) | |
| C12 | 0.5598 (10) | 0.6004 (8) | 0.1139 (7) | 0.048 (3) | |
| C13 | 0.6664 (12) | 0.5936 (10) | 0.1094 (8) | 0.072 (4) | |
| H13 | 0.6971 | 0.6311 | 0.0843 | 0.087* | |
| C14 | 0.7234 (15) | 0.5302 (12) | 0.1431 (10) | 0.095 (6) | |
| H14 | 0.7922 | 0.5218 | 0.1388 | 0.114* | |
| C15 | 0.6750 (13) | 0.4797 (10) | 0.1834 (9) | 0.076 (5) | |
| H15 | 0.7126 | 0.4373 | 0.2077 | 0.091* | |
| C16 | 0.5731 (12) | 0.4904 (9) | 0.1886 (8) | 0.067 (4) | |
| H16 | 0.5430 | 0.4553 | 0.2164 | 0.081* | |
| C17 | 0.3580 (12) | 0.3850 (9) | 0.3102 (9) | 0.065 (4) | |
| H17 | 0.3773 | 0.3553 | 0.3532 | 0.078* | |
| C18 | 0.2902 (12) | 0.3614 (9) | 0.2482 (8) | 0.066 (4) | |
| H18 | 0.2535 | 0.3141 | 0.2391 | 0.079* | |
| C19 | 0.2886 (10) | 0.4280 (8) | 0.1993 (8) | 0.054 (3) | |
| C20 | 0.2335 (10) | 0.4416 (8) | 0.1235 (7) | 0.052 (3) | |
| C21 | 0.1621 (13) | 0.3881 (10) | 0.0809 (10) | 0.081 (5) | |
| H21 | 0.1494 | 0.3387 | 0.0989 | 0.098* | |
| C22 | 0.1117 (13) | 0.4130 (11) | 0.0105 (9) | 0.081 (5) | |
| H22 | 0.0637 | 0.3795 | −0.0191 | 0.097* | |
| C23 | 0.1311 (13) | 0.4857 (10) | −0.0161 (9) | 0.075 (4) | |
| H23 | 0.0938 | 0.5025 | −0.0621 | 0.090* | |
| C24 | 0.2060 (11) | 0.5332 (9) | 0.0258 (8) | 0.059 (4) | |
| H24 | 0.2231 | 0.5807 | 0.0062 | 0.070* | |
| N1 | 0.3925 (9) | 0.4562 (7) | 0.3005 (6) | 0.060 (3) | |
| H1A | 0.4368 | 0.4813 | 0.3338 | 0.072* | |
| N2 | 0.3507 (8) | 0.4859 (6) | 0.2324 (6) | 0.051 (3) | |
| N3 | 0.2551 (9) | 0.5129 (7) | 0.0943 (6) | 0.057 (3) | |
| N4 | 0.3541 (10) | 0.7337 (7) | 0.0492 (7) | 0.072 (4) | |
| H4 | 0.2902 | 0.7490 | 0.0449 | 0.087* | |
| N5 | 0.3958 (9) | 0.6673 (6) | 0.0883 (6) | 0.055 (3) | |
| N6 | 0.5155 (8) | 0.5512 (6) | 0.1541 (6) | 0.052 (3) | |
| N7 | 0.5271 (10) | 0.6937 (8) | 0.2864 (7) | 0.072 (4) | |
| H7A | 0.5839 | 0.6725 | 0.2793 | 0.086* | |
| N8 | 0.4298 (8) | 0.6712 (7) | 0.2534 (6) | 0.052 (3) | |
| N9 | 0.2279 (9) | 0.6507 (7) | 0.1994 (6) | 0.058 (3) | |
| O1 | 0.0848 (7) | 0.8012 (5) | 0.4612 (5) | 0.058 (2) | |
| O2 | −0.2484 (7) | 0.6655 (6) | 0.2974 (5) | 0.061 (2) | |
| O3 | 0.3156 (7) | 0.5797 (6) | 0.3861 (5) | 0.061 (2) | |
| O4 | 0.3275 (6) | 0.6295 (5) | 0.6651 (5) | 0.052 (2) | |
| O5 | −0.0141 (7) | 0.4491 (5) | 0.2150 (5) | 0.054 (2) | |
| O6 | −0.0494 (8) | 0.7163 (6) | 0.5323 (5) | 0.071 (3) | |
| O7 | 0.1182 (8) | 0.5280 (6) | 0.3314 (5) | 0.074 (3) | |
| O8 | −0.0581 (7) | 0.6902 (6) | 0.3890 (5) | 0.071 (3) | |
| O9 | −0.2306 (7) | 0.7206 (6) | 0.5792 (5) | 0.066 (3) | |
| O10 | 0.2238 (9) | 0.3640 (6) | 0.5498 (5) | 0.080 (3) | |
| O11A | 0.2488 (15) | 0.5526 (11) | 0.5273 (10) | 0.040 (5) | 0.50 |
| O11B | 0.2997 (13) | 0.5646 (10) | 0.5258 (9) | 0.033 (4) | 0.50 |
| O12 | −0.0731 (8) | 0.6245 (6) | 0.6494 (5) | 0.076 (3) | |
| O13 | 0.1592 (8) | 0.6844 (6) | 0.5658 (5) | 0.077 (3) | |
| O14 | 0.2189 (12) | 0.4826 (9) | 0.6113 (9) | 0.033 (4) | 0.50 |
| O14A | 0.2767 (14) | 0.4726 (10) | 0.6443 (9) | 0.043 (4) | 0.50 |
| O15 | −0.0919 (9) | 0.5605 (6) | 0.2994 (7) | 0.090 (3) | |
| O16 | 0.2659 (13) | 0.4376 (10) | 0.4430 (9) | 0.036 (4) | 0.50 |
| O16B | 0.2127 (12) | 0.4516 (9) | 0.4492 (8) | 0.028 (4) | 0.50 |
| O17A | −0.0469 (10) | 0.5874 (8) | 0.4826 (7) | 0.029 (3) | 0.50 |
| O17B | −0.0747 (10) | 0.4992 (8) | 0.4136 (7) | 0.028 (3) | 0.50 |
| O18A | 0.0684 (10) | 0.4742 (8) | 0.4390 (7) | 0.027 (3) | 0.50 |
| O18B | −0.0905 (10) | 0.4306 (8) | 0.5014 (7) | 0.028 (3) | 0.50 |
| O19 | 0.1508 (9) | 0.6552 (7) | 0.4225 (6) | 0.087 (3) | |
| O20 | 0.4195 (13) | 0.4254 (10) | 0.4906 (10) | 0.104 (5) | 0.75 |
| O20A | 0.412 (2) | 0.3654 (19) | 0.5690 (16) | 0.041 (8) | 0.25 |
| O21A | 0.449 (2) | 0.5140 (17) | 0.5616 (15) | 0.034 (7) | 0.25 |
| O21 | 0.4286 (12) | 0.4547 (10) | 0.6293 (9) | 0.100 (5) | 0.75 |
| O22 | 0.1328 (8) | 0.5930 (6) | 0.6805 (7) | 0.085 (3) |
| Si1 | 0.0201 (18) | 0.0165 (19) | 0.0221 (18) | 0.0002 (15) | 0.0064 (15) | −0.0006 (15) |
| Fe1 | 0.0472 (11) | 0.0411 (11) | 0.0604 (12) | −0.0018 (9) | 0.0109 (9) | −0.0033 (9) |
| Mo1 | 0.0292 (5) | 0.0435 (6) | 0.0374 (6) | −0.0003 (4) | 0.0090 (4) | 0.0018 (5) |
| Mo2 | 0.0549 (7) | 0.0418 (7) | 0.0353 (6) | −0.0056 (5) | 0.0162 (5) | −0.0055 (5) |
| Mo3 | 0.0418 (6) | 0.0427 (7) | 0.0500 (7) | 0.0061 (5) | −0.0001 (5) | −0.0015 (5) |
| Mo4 | 0.0297 (5) | 0.0392 (6) | 0.0513 (7) | −0.0034 (4) | 0.0043 (4) | −0.0140 (5) |
| Mo5 | 0.0460 (6) | 0.0235 (5) | 0.0442 (6) | 0.0013 (4) | 0.0036 (5) | 0.0015 (5) |
| Mo6 | 0.0300 (5) | 0.0322 (6) | 0.0487 (6) | 0.0053 (4) | 0.0030 (4) | 0.0082 (5) |
| Mo7 | 0.0296 (5) | 0.0275 (5) | 0.0440 (6) | 0.0044 (4) | 0.0071 (4) | −0.0050 (4) |
| C1 | 0.075 (8) | 0.079 (8) | 0.079 (8) | −0.011 (7) | 0.001 (7) | −0.005 (7) |
| C2 | 0.080 (8) | 0.072 (8) | 0.072 (8) | −0.004 (7) | 0.024 (7) | −0.010 (7) |
| C3 | 0.053 (7) | 0.053 (7) | 0.058 (7) | 0.000 (6) | 0.007 (6) | 0.011 (6) |
| C4 | 0.051 (6) | 0.045 (6) | 0.051 (6) | 0.010 (5) | 0.017 (5) | 0.015 (5) |
| C5 | 0.072 (7) | 0.053 (7) | 0.056 (7) | 0.005 (6) | 0.019 (6) | 0.015 (6) |
| C6 | 0.064 (7) | 0.072 (8) | 0.074 (8) | 0.014 (6) | 0.025 (6) | 0.023 (7) |
| C7 | 0.060 (7) | 0.078 (8) | 0.071 (8) | 0.003 (7) | 0.013 (6) | 0.024 (7) |
| C8 | 0.055 (7) | 0.068 (8) | 0.064 (7) | 0.000 (6) | 0.006 (6) | 0.006 (6) |
| C9 | 0.093 (8) | 0.062 (8) | 0.080 (8) | −0.006 (7) | 0.012 (7) | 0.019 (7) |
| C10 | 0.067 (8) | 0.075 (8) | 0.069 (7) | −0.003 (7) | 0.008 (6) | 0.005 (7) |
| C11 | 0.059 (7) | 0.046 (7) | 0.049 (6) | −0.007 (6) | 0.003 (5) | −0.001 (5) |
| C12 | 0.048 (6) | 0.051 (7) | 0.046 (6) | 0.004 (5) | 0.010 (5) | −0.001 (5) |
| C13 | 0.070 (8) | 0.080 (8) | 0.067 (8) | 0.002 (7) | 0.015 (6) | 0.014 (7) |
| C14 | 0.090 (9) | 0.108 (10) | 0.093 (9) | 0.014 (8) | 0.035 (8) | 0.011 (8) |
| C15 | 0.081 (8) | 0.077 (8) | 0.072 (8) | 0.022 (7) | 0.023 (7) | 0.005 (7) |
| C16 | 0.076 (8) | 0.063 (8) | 0.066 (7) | 0.015 (6) | 0.023 (6) | 0.016 (6) |
| C17 | 0.072 (7) | 0.061 (8) | 0.063 (7) | 0.011 (6) | 0.016 (6) | 0.008 (6) |
| C18 | 0.075 (8) | 0.059 (7) | 0.067 (7) | −0.008 (6) | 0.022 (6) | 0.000 (6) |
| C19 | 0.053 (7) | 0.053 (7) | 0.057 (7) | −0.010 (6) | 0.015 (6) | −0.006 (6) |
| C20 | 0.040 (6) | 0.058 (7) | 0.059 (7) | −0.007 (5) | 0.016 (5) | −0.010 (6) |
| C21 | 0.078 (8) | 0.074 (8) | 0.090 (9) | −0.024 (7) | 0.013 (7) | −0.005 (7) |
| C22 | 0.078 (8) | 0.087 (9) | 0.071 (8) | −0.022 (7) | 0.004 (7) | −0.007 (7) |
| C23 | 0.076 (8) | 0.084 (8) | 0.067 (8) | −0.005 (7) | 0.018 (6) | 0.004 (7) |
| C24 | 0.055 (7) | 0.062 (7) | 0.058 (7) | −0.006 (6) | 0.010 (6) | 0.001 (6) |
| N1 | 0.055 (6) | 0.062 (7) | 0.063 (6) | −0.004 (5) | 0.014 (5) | −0.004 (5) |
| N2 | 0.050 (5) | 0.050 (6) | 0.052 (6) | 0.000 (5) | 0.011 (5) | 0.007 (5) |
| N3 | 0.062 (6) | 0.055 (6) | 0.055 (6) | −0.006 (5) | 0.016 (5) | −0.002 (5) |
| N4 | 0.073 (7) | 0.058 (7) | 0.077 (7) | 0.015 (6) | −0.002 (6) | −0.007 (6) |
| N5 | 0.059 (6) | 0.046 (6) | 0.056 (6) | 0.010 (5) | 0.000 (5) | 0.003 (5) |
| N6 | 0.057 (6) | 0.042 (6) | 0.055 (6) | 0.010 (5) | 0.011 (5) | 0.004 (5) |
| N7 | 0.060 (6) | 0.078 (7) | 0.075 (7) | −0.001 (6) | 0.010 (6) | 0.006 (6) |
| N8 | 0.040 (5) | 0.061 (6) | 0.053 (6) | −0.004 (5) | 0.004 (5) | 0.006 (5) |
| N9 | 0.056 (6) | 0.058 (6) | 0.060 (6) | −0.003 (5) | 0.012 (5) | 0.010 (5) |
| O1 | 0.058 (3) | 0.057 (3) | 0.058 (3) | −0.0004 (10) | 0.0125 (11) | 0.0000 (10) |
| O2 | 0.061 (3) | 0.062 (3) | 0.061 (3) | 0.0006 (10) | 0.0132 (11) | 0.0009 (10) |
| O3 | 0.061 (3) | 0.061 (3) | 0.062 (3) | −0.0001 (10) | 0.0139 (11) | 0.0009 (10) |
| O4 | 0.051 (2) | 0.052 (2) | 0.052 (2) | 0.0003 (10) | 0.0108 (11) | −0.0007 (10) |
| O5 | 0.055 (2) | 0.054 (2) | 0.053 (2) | −0.0001 (10) | 0.0118 (11) | −0.0002 (10) |
| O6 | 0.072 (6) | 0.092 (6) | 0.053 (5) | −0.038 (5) | 0.019 (4) | −0.017 (5) |
| O7 | 0.086 (6) | 0.056 (5) | 0.061 (5) | −0.020 (5) | −0.026 (5) | 0.019 (4) |
| O8 | 0.070 (5) | 0.101 (6) | 0.044 (5) | −0.038 (5) | 0.017 (4) | −0.002 (5) |
| O9 | 0.066 (3) | 0.066 (3) | 0.067 (3) | 0.0009 (10) | 0.0142 (11) | −0.0014 (10) |
| O10 | 0.105 (7) | 0.073 (6) | 0.062 (6) | −0.049 (5) | 0.018 (5) | −0.014 (5) |
| O11A | 0.041 (8) | 0.035 (8) | 0.043 (8) | −0.001 (7) | 0.010 (7) | 0.005 (6) |
| O11B | 0.028 (7) | 0.030 (7) | 0.038 (7) | 0.003 (6) | 0.000 (6) | 0.002 (6) |
| O12 | 0.087 (6) | 0.052 (5) | 0.070 (6) | −0.028 (5) | −0.026 (5) | 0.013 (5) |
| O13 | 0.092 (6) | 0.076 (6) | 0.053 (5) | 0.050 (5) | −0.005 (5) | −0.017 (5) |
| O14 | 0.033 (7) | 0.031 (7) | 0.036 (7) | −0.003 (6) | 0.007 (6) | 0.007 (6) |
| O14A | 0.042 (7) | 0.039 (8) | 0.044 (8) | 0.003 (6) | 0.002 (6) | −0.003 (6) |
| O15 | 0.093 (6) | 0.059 (6) | 0.138 (8) | 0.002 (5) | 0.069 (6) | −0.010 (6) |
| O16 | 0.035 (7) | 0.038 (8) | 0.036 (7) | 0.008 (7) | 0.009 (6) | 0.000 (6) |
| O16B | 0.023 (7) | 0.033 (7) | 0.029 (7) | 0.004 (6) | 0.008 (6) | −0.008 (6) |
| O17A | 0.025 (6) | 0.028 (6) | 0.033 (6) | 0.003 (5) | 0.004 (5) | 0.000 (5) |
| O17B | 0.030 (6) | 0.024 (6) | 0.034 (6) | 0.008 (5) | 0.013 (5) | 0.005 (5) |
| O18A | 0.027 (6) | 0.027 (6) | 0.023 (6) | 0.003 (5) | 0.000 (5) | −0.003 (5) |
| O18B | 0.030 (6) | 0.023 (6) | 0.028 (6) | 0.001 (5) | 0.001 (5) | −0.011 (5) |
| O19 | 0.101 (6) | 0.094 (6) | 0.060 (5) | 0.044 (5) | 0.006 (5) | 0.001 (5) |
| O20 | 0.096 (8) | 0.105 (9) | 0.114 (9) | 0.008 (7) | 0.031 (7) | −0.007 (7) |
| O20A | 0.040 (11) | 0.048 (11) | 0.036 (11) | 0.020 (9) | 0.007 (8) | 0.000 (9) |
| O21A | 0.024 (9) | 0.043 (10) | 0.031 (10) | −0.008 (8) | 0.001 (8) | 0.005 (8) |
| O21 | 0.079 (8) | 0.096 (9) | 0.111 (9) | 0.003 (7) | −0.008 (7) | −0.001 (7) |
| O22 | 0.086 (6) | 0.051 (6) | 0.136 (7) | −0.005 (5) | 0.062 (6) | −0.020 (5) |
| Si1—O17Ai | 1.606 (13) | C1—H1 | 0.9300 |
| Si1—O17A | 1.606 (13) | C2—C3 | 1.410 (19) |
| Si1—O18A | 1.648 (13) | C2—H2 | 0.9300 |
| Si1—O18Ai | 1.648 (13) | C3—N8 | 1.325 (16) |
| Si1—O18B | 1.670 (13) | C3—C4 | 1.455 (18) |
| Si1—O18Bi | 1.670 (13) | C4—N9 | 1.370 (16) |
| Si1—O17B | 1.684 (13) | C4—C5 | 1.383 (18) |
| Si1—O17Bi | 1.684 (13) | C5—C6 | 1.409 (19) |
| Fe1—N2 | 2.105 (11) | C5—H5 | 0.9300 |
| Fe1—N8 | 2.119 (11) | C6—C7 | 1.32 (2) |
| Fe1—N5 | 2.153 (11) | C6—H6 | 0.9300 |
| Fe1—N3 | 2.173 (11) | C7—C8 | 1.38 (2) |
| Fe1—N9 | 2.186 (12) | C7—H7 | 0.9300 |
| Fe1—N6 | 2.206 (11) | C8—N9 | 1.369 (17) |
| Mo1—O3 | 1.657 (9) | C8—H8 | 0.9300 |
| Mo1—O7 | 1.823 (9) | C9—C10 | 1.37 (2) |
| Mo1—O19 | 1.832 (11) | C9—N4 | 1.368 (19) |
| Mo1—O16B | 1.892 (16) | C9—H9 | 0.9300 |
| Mo1—O11A | 2.010 (19) | C10—C11 | 1.435 (19) |
| Mo1—O11B | 2.117 (17) | C10—H10 | 0.9300 |
| Mo1—O16 | 2.183 (17) | C11—N5 | 1.335 (16) |
| Mo1—O18Bi | 2.406 (13) | C11—C12 | 1.440 (18) |
| Mo1—O18A | 2.423 (13) | C12—N6 | 1.332 (16) |
| Mo2—O5 | 1.646 (9) | C12—C13 | 1.417 (19) |
| Mo2—O7 | 1.923 (9) | C13—C14 | 1.38 (2) |
| Mo2—O12i | 1.940 (10) | C13—H13 | 0.9300 |
| Mo2—O15 | 1.950 (11) | C14—C15 | 1.38 (2) |
| Mo2—O22i | 1.993 (10) | C14—H14 | 0.9300 |
| Mo2—O17B | 2.468 (13) | C15—C16 | 1.37 (2) |
| Mo2—O18A | 2.498 (12) | C15—H15 | 0.9300 |
| Mo3—O21 | 1.700 (15) | C16—N6 | 1.351 (17) |
| Mo3—O20A | 1.72 (3) | C16—H16 | 0.9300 |
| Mo3—O20 | 1.765 (17) | C17—N1 | 1.313 (17) |
| Mo3—O21A | 1.84 (3) | C17—C18 | 1.349 (19) |
| Mo3—O16 | 1.998 (16) | C17—H17 | 0.9300 |
| Mo3—O10 | 2.033 (9) | C18—C19 | 1.444 (19) |
| Mo3—O11B | 2.051 (17) | C18—H18 | 0.9300 |
| Mo3—O11A | 2.086 (19) | C19—N2 | 1.333 (16) |
| Mo3—O14A | 2.099 (16) | C19—C20 | 1.452 (18) |
| Mo3—O14 | 2.164 (15) | C20—N3 | 1.378 (16) |
| Mo3—O16B | 2.174 (15) | C20—C21 | 1.411 (19) |
| Mo4—O4 | 1.663 (8) | C21—C22 | 1.39 (2) |
| Mo4—O22 | 1.803 (10) | C21—H21 | 0.9300 |
| Mo4—O13 | 1.839 (9) | C22—C23 | 1.37 (2) |
| Mo4—O14 | 1.895 (15) | C22—H22 | 0.9300 |
| Mo4—O11A | 1.903 (19) | C23—C24 | 1.37 (2) |
| Mo4—O11B | 2.228 (18) | C23—H23 | 0.9300 |
| Mo4—O14A | 2.237 (17) | C24—N3 | 1.335 (16) |
| Mo4—O17Bi | 2.397 (14) | C24—H24 | 0.9300 |
| Mo4—O18Bi | 2.435 (13) | N1—N2 | 1.359 (14) |
| Mo5—O1 | 1.659 (9) | N1—H1A | 0.8600 |
| Mo5—O19 | 1.918 (11) | N4—N5 | 1.382 (15) |
| Mo5—O8 | 1.928 (9) | N4—H4 | 0.8600 |
| Mo5—O6 | 1.952 (9) | N7—N8 | 1.339 (14) |
| Mo5—O13 | 1.978 (9) | N7—H7A | 0.8600 |
| Mo5—O18Bi | 2.404 (13) | O10—Mo7i | 2.058 (10) |
| Mo5—O17A | 2.463 (14) | O10—Mo6i | 2.061 (11) |
| Mo6—O2 | 1.668 (9) | O11A—O11B | 0.701 (18) |
| Mo6—O8 | 1.833 (9) | O12—Mo2i | 1.940 (10) |
| Mo6—O15 | 1.832 (10) | O14—O14A | 0.878 (17) |
| Mo6—O14i | 1.954 (15) | O14—Mo6i | 1.954 (15) |
| Mo6—O10i | 2.061 (11) | O14A—Mo6i | 2.119 (17) |
| Mo6—O14Ai | 2.119 (17) | O16—O16B | 0.766 (16) |
| Mo6—O17B | 2.375 (13) | O16—Mo7i | 2.154 (17) |
| Mo6—O17A | 2.480 (13) | O16B—Mo7i | 1.943 (16) |
| Mo7—O9 | 1.664 (10) | O17A—O18Bi | 1.778 (18) |
| Mo7—O12 | 1.818 (9) | O17B—Mo4i | 2.397 (14) |
| Mo7—O6 | 1.840 (9) | O18A—Mo7i | 2.389 (13) |
| Mo7—O16Bi | 1.943 (16) | O18B—O17Ai | 1.778 (18) |
| Mo7—O10i | 2.058 (10) | O18B—Mo5i | 2.404 (13) |
| Mo7—O16i | 2.154 (17) | O18B—Mo1i | 2.406 (13) |
| Mo7—O18Ai | 2.389 (13) | O18B—Mo4i | 2.435 (13) |
| Mo7—O17A | 2.417 (13) | O20—O20A | 1.79 (4) |
| C1—C2 | 1.34 (2) | O21A—O21 | 1.68 (3) |
| C1—N7 | 1.337 (19) | O22—Mo2i | 1.993 (10) |
| O17Ai—Si1—O17A | 180.0 (10) | O14i—Mo6—O14Ai | 24.5 (5) |
| O17Ai—Si1—O18A | 69.8 (7) | O10i—Mo6—O14Ai | 74.5 (5) |
| O17A—Si1—O18A | 110.2 (7) | O2—Mo6—O17B | 154.3 (5) |
| O17Ai—Si1—O18Ai | 110.2 (7) | O8—Mo6—O17B | 101.6 (5) |
| O17A—Si1—O18Ai | 69.8 (7) | O15—Mo6—O17B | 65.6 (5) |
| O18A—Si1—O18Ai | 180.000 (3) | O14i—Mo6—O17B | 49.8 (6) |
| O17Ai—Si1—O18B | 65.7 (6) | O10i—Mo6—O17B | 91.8 (4) |
| O17A—Si1—O18B | 114.3 (6) | O14Ai—Mo6—O17B | 72.4 (6) |
| O18A—Si1—O18B | 108.4 (6) | O2—Mo6—O17A | 156.3 (4) |
| O18Ai—Si1—O18B | 71.6 (6) | O8—Mo6—O17A | 67.0 (4) |
| O17Ai—Si1—O18Bi | 114.3 (6) | O15—Mo6—O17A | 101.0 (5) |
| O17A—Si1—O18Bi | 65.7 (6) | O14i—Mo6—O17A | 76.8 (6) |
| O18A—Si1—O18Bi | 71.6 (6) | O10i—Mo6—O17A | 63.1 (4) |
| O18Ai—Si1—O18Bi | 108.4 (6) | O14Ai—Mo6—O17A | 100.1 (6) |
| O18B—Si1—O18Bi | 180.0 (6) | O17B—Mo6—O17A | 47.2 (5) |
| O17Ai—Si1—O17B | 107.4 (7) | O9—Mo7—O12 | 102.6 (5) |
| O17A—Si1—O17B | 72.6 (7) | O9—Mo7—O6 | 100.4 (5) |
| O18A—Si1—O17B | 68.4 (6) | O12—Mo7—O6 | 97.2 (4) |
| O18Ai—Si1—O17B | 111.6 (6) | O9—Mo7—O16Bi | 111.2 (6) |
| O18B—Si1—O17B | 75.3 (6) | O12—Mo7—O16Bi | 88.3 (5) |
| O18Bi—Si1—O17B | 104.7 (6) | O6—Mo7—O16Bi | 145.8 (6) |
| O17Ai—Si1—O17Bi | 72.6 (7) | O9—Mo7—O10i | 97.4 (5) |
| O17A—Si1—O17Bi | 107.4 (7) | O12—Mo7—O10i | 156.2 (5) |
| O18A—Si1—O17Bi | 111.6 (6) | O6—Mo7—O10i | 91.6 (4) |
| O18Ai—Si1—O17Bi | 68.4 (6) | O16Bi—Mo7—O10i | 72.4 (5) |
| O18B—Si1—O17Bi | 104.7 (6) | O9—Mo7—O16i | 90.5 (6) |
| O18Bi—Si1—O17Bi | 75.3 (6) | O12—Mo7—O16i | 94.0 (5) |
| O17B—Si1—O17Bi | 180.000 (3) | O6—Mo7—O16i | 162.2 (5) |
| N2—Fe1—N8 | 102.7 (4) | O16Bi—Mo7—O16i | 20.7 (5) |
| N2—Fe1—N5 | 161.1 (4) | O10i—Mo7—O16i | 72.9 (5) |
| N8—Fe1—N5 | 89.3 (4) | O9—Mo7—O18Ai | 156.7 (5) |
| N2—Fe1—N3 | 76.0 (4) | O12—Mo7—O18Ai | 66.4 (5) |
| N8—Fe1—N3 | 166.1 (4) | O6—Mo7—O18Ai | 101.3 (5) |
| N5—Fe1—N3 | 95.8 (4) | O16Bi—Mo7—O18Ai | 50.4 (6) |
| N2—Fe1—N9 | 96.8 (4) | O10i—Mo7—O18Ai | 90.3 (4) |
| N8—Fe1—N9 | 75.2 (4) | O16i—Mo7—O18Ai | 70.7 (5) |
| N5—Fe1—N9 | 100.5 (4) | O9—Mo7—O17A | 155.7 (5) |
| N3—Fe1—N9 | 91.1 (4) | O12—Mo7—O17A | 99.3 (5) |
| N2—Fe1—N6 | 90.3 (4) | O6—Mo7—O17A | 66.2 (5) |
| N8—Fe1—N6 | 92.0 (4) | O16Bi—Mo7—O17A | 79.6 (6) |
| N5—Fe1—N6 | 74.5 (4) | O10i—Mo7—O17A | 64.3 (5) |
| N3—Fe1—N6 | 101.8 (4) | O16i—Mo7—O17A | 98.4 (6) |
| N9—Fe1—N6 | 166.5 (4) | O18Ai—Mo7—O17A | 45.6 (4) |
| O3—Mo1—O7 | 101.6 (5) | C2—C1—N7 | 110.5 (15) |
| O3—Mo1—O19 | 102.0 (5) | C2—C1—H1 | 124.7 |
| O7—Mo1—O19 | 95.9 (5) | N7—C1—H1 | 124.8 |
| O3—Mo1—O16B | 111.0 (6) | C1—C2—C3 | 102.9 (15) |
| O7—Mo1—O16B | 89.0 (5) | C1—C2—H2 | 128.5 |
| O19—Mo1—O16B | 144.9 (6) | C3—C2—H2 | 128.6 |
| O3—Mo1—O11A | 108.1 (6) | N8—C3—C2 | 111.1 (13) |
| O7—Mo1—O11A | 147.9 (6) | N8—C3—C4 | 117.5 (13) |
| O19—Mo1—O11A | 89.7 (6) | C2—C3—C4 | 131.4 (14) |
| O16B—Mo1—O11A | 69.4 (7) | N9—C4—C5 | 121.5 (13) |
| O3—Mo1—O11B | 88.8 (6) | N9—C4—C3 | 114.1 (12) |
| O7—Mo1—O11B | 165.0 (6) | C5—C4—C3 | 124.4 (13) |
| O19—Mo1—O11B | 92.5 (6) | C4—C5—C6 | 118.5 (14) |
| O16B—Mo1—O11B | 77.0 (6) | C4—C5—H5 | 120.7 |
| O11A—Mo1—O11B | 19.3 (5) | C6—C5—H5 | 120.8 |
| O3—Mo1—O16 | 90.9 (6) | C7—C6—C5 | 119.9 (15) |
| O7—Mo1—O16 | 93.6 (5) | C7—C6—H6 | 120.1 |
| O19—Mo1—O16 | 162.0 (6) | C5—C6—H6 | 120.0 |
| O16B—Mo1—O16 | 20.1 (5) | C6—C7—C8 | 120.6 (16) |
| O11A—Mo1—O16 | 74.4 (7) | C6—C7—H7 | 119.6 |
| O11B—Mo1—O16 | 75.2 (6) | C8—C7—H7 | 119.8 |
| O3—Mo1—O18Bi | 154.5 (4) | N9—C8—C7 | 121.8 (15) |
| O7—Mo1—O18Bi | 100.7 (5) | N9—C8—H8 | 119.1 |
| O19—Mo1—O18Bi | 63.6 (5) | C7—C8—H8 | 119.1 |
| O16B—Mo1—O18Bi | 81.4 (6) | C10—C9—N4 | 106.4 (14) |
| O11A—Mo1—O18Bi | 54.1 (6) | C10—C9—H9 | 126.8 |
| O11B—Mo1—O18Bi | 71.9 (6) | N4—C9—H9 | 126.7 |
| O16—Mo1—O18Bi | 99.7 (5) | C9—C10—C11 | 105.6 (14) |
| O3—Mo1—O18A | 156.2 (5) | C9—C10—H10 | 127.1 |
| O7—Mo1—O18A | 67.5 (4) | C11—C10—H10 | 127.2 |
| O19—Mo1—O18A | 100.2 (5) | N5—C11—C10 | 111.2 (13) |
| O16B—Mo1—O18A | 50.1 (6) | N5—C11—C12 | 117.7 (12) |
| O11A—Mo1—O18A | 80.4 (6) | C10—C11—C12 | 131.1 (13) |
| O11B—Mo1—O18A | 98.8 (6) | N6—C12—C13 | 122.3 (13) |
| O16—Mo1—O18A | 69.6 (5) | N6—C12—C11 | 115.7 (11) |
| O18Bi—Mo1—O18A | 47.4 (4) | C13—C12—C11 | 121.9 (13) |
| O5—Mo2—O7 | 102.7 (4) | C14—C13—C12 | 118.5 (16) |
| O5—Mo2—O12i | 103.1 (4) | C14—C13—H13 | 120.7 |
| O7—Mo2—O12i | 88.3 (4) | C12—C13—H13 | 120.7 |
| O5—Mo2—O15 | 101.1 (5) | C13—C14—C15 | 117.6 (17) |
| O7—Mo2—O15 | 89.7 (5) | C13—C14—H14 | 121.1 |
| O12i—Mo2—O15 | 155.6 (5) | C15—C14—H14 | 121.3 |
| O5—Mo2—O22i | 101.5 (5) | C16—C15—C14 | 121.8 (17) |
| O7—Mo2—O22i | 155.8 (5) | C16—C15—H15 | 119.2 |
| O12i—Mo2—O22i | 85.7 (4) | C14—C15—H15 | 119.1 |
| O15—Mo2—O22i | 86.2 (4) | N6—C16—C15 | 121.1 (15) |
| O5—Mo2—O17B | 155.9 (4) | N6—C16—H16 | 119.5 |
| O7—Mo2—O17B | 94.9 (5) | C15—C16—H16 | 119.4 |
| O12i—Mo2—O17B | 93.7 (4) | N1—C17—C18 | 109.6 (14) |
| O15—Mo2—O17B | 62.2 (5) | N1—C17—H17 | 125.2 |
| O22i—Mo2—O17B | 62.2 (4) | C18—C17—H17 | 125.2 |
| O5—Mo2—O18A | 159.8 (4) | C17—C18—C19 | 102.8 (14) |
| O7—Mo2—O18A | 64.6 (4) | C17—C18—H18 | 128.7 |
| O12i—Mo2—O18A | 62.6 (4) | C19—C18—H18 | 128.5 |
| O15—Mo2—O18A | 94.8 (5) | N2—C19—C18 | 111.2 (12) |
| O22i—Mo2—O18A | 92.0 (5) | N2—C19—C20 | 116.9 (12) |
| O17B—Mo2—O18A | 44.3 (4) | C18—C19—C20 | 131.9 (13) |
| O21—Mo3—O20A | 66.1 (11) | N3—C20—C21 | 120.6 (13) |
| O21—Mo3—O20 | 97.1 (8) | N3—C20—C19 | 114.9 (11) |
| O20A—Mo3—O20 | 61.9 (12) | C21—C20—C19 | 124.5 (14) |
| O21—Mo3—O21A | 56.4 (10) | C22—C21—C20 | 116.7 (16) |
| O20A—Mo3—O21A | 92.6 (14) | C22—C21—H21 | 121.6 |
| O20—Mo3—O21A | 66.6 (11) | C20—C21—H21 | 121.8 |
| O21—Mo3—O16 | 161.4 (8) | C23—C22—C21 | 121.5 (16) |
| O20A—Mo3—O16 | 104.3 (11) | C23—C22—H22 | 119.2 |
| O20—Mo3—O16 | 64.5 (7) | C21—C22—H22 | 119.2 |
| O21A—Mo3—O16 | 110.4 (10) | C24—C23—C22 | 119.2 (16) |
| O21—Mo3—O10 | 115.0 (7) | C24—C23—H23 | 120.4 |
| O20A—Mo3—O10 | 79.4 (11) | C22—C23—H23 | 120.4 |
| O20—Mo3—O10 | 113.0 (7) | N3—C24—C23 | 121.5 (14) |
| O21A—Mo3—O10 | 170.5 (9) | N3—C24—H24 | 119.2 |
| O16—Mo3—O10 | 76.8 (6) | C23—C24—H24 | 119.2 |
| O21—Mo3—O11B | 102.1 (7) | C17—N1—N2 | 112.8 (12) |
| O20A—Mo3—O11B | 157.2 (12) | C17—N1—H1A | 123.5 |
| O20—Mo3—O11B | 102.4 (8) | N2—N1—H1A | 123.7 |
| O21A—Mo3—O11B | 65.1 (10) | C19—N2—N1 | 103.6 (11) |
| O16—Mo3—O11B | 80.8 (7) | C19—N2—Fe1 | 117.6 (9) |
| O10—Mo3—O11B | 123.3 (6) | N1—N2—Fe1 | 138.7 (9) |
| O21—Mo3—O11A | 111.9 (8) | C24—N3—C20 | 120.2 (12) |
| O20A—Mo3—O11A | 176.6 (12) | C24—N3—Fe1 | 125.0 (10) |
| O20—Mo3—O11A | 116.3 (8) | C20—N3—Fe1 | 114.6 (8) |
| O21A—Mo3—O11A | 84.1 (10) | C9—N4—N5 | 112.5 (13) |
| O16—Mo3—O11A | 76.8 (7) | C9—N4—H4 | 123.8 |
| O10—Mo3—O11A | 104.0 (6) | N5—N4—H4 | 123.7 |
| O11B—Mo3—O11A | 19.5 (5) | C11—N5—N4 | 104.1 (12) |
| O21—Mo3—O14A | 65.6 (8) | C11—N5—Fe1 | 115.4 (9) |
| O20A—Mo3—O14A | 107.0 (11) | N4—N5—Fe1 | 138.9 (10) |
| O20—Mo3—O14A | 162.7 (7) | C12—N6—C16 | 118.5 (12) |
| O21A—Mo3—O14A | 102.4 (10) | C12—N6—Fe1 | 114.9 (8) |
| O16—Mo3—O14A | 132.9 (7) | C16—N6—Fe1 | 125.8 (10) |
| O10—Mo3—O14A | 75.5 (5) | C1—N7—N8 | 109.7 (13) |
| O11B—Mo3—O14A | 83.6 (7) | C1—N7—H7A | 125.1 |
| O11A—Mo3—O14A | 74.0 (7) | N8—N7—H7A | 125.2 |
| O21—Mo3—O14 | 88.8 (7) | C3—N8—N7 | 105.7 (12) |
| O20A—Mo3—O14 | 124.0 (11) | C3—N8—Fe1 | 117.6 (9) |
| O20—Mo3—O14 | 173.2 (7) | N7—N8—Fe1 | 136.6 (10) |
| O21A—Mo3—O14 | 114.7 (10) | C8—N9—C4 | 117.6 (12) |
| O16—Mo3—O14 | 109.4 (7) | C8—N9—Fe1 | 126.9 (10) |
| O10—Mo3—O14 | 66.9 (5) | C4—N9—Fe1 | 115.4 (8) |
| O11B—Mo3—O14 | 73.0 (6) | Mo7—O6—Mo5 | 137.3 (6) |
| O11A—Mo3—O14 | 58.0 (6) | Mo1—O7—Mo2 | 137.5 (6) |
| O14A—Mo3—O14 | 23.7 (5) | Mo6—O8—Mo5 | 136.7 (5) |
| O21—Mo3—O16B | 174.7 (7) | Mo3—O10—Mo7i | 106.3 (4) |
| O20A—Mo3—O16B | 119.1 (11) | Mo3—O10—Mo6i | 107.2 (4) |
| O20—Mo3—O16B | 84.9 (7) | Mo7i—O10—Mo6i | 129.4 (6) |
| O21A—Mo3—O16B | 120.5 (9) | O11B—O11A—Mo4 | 109 (3) |
| O16—Mo3—O16B | 20.6 (5) | O11B—O11A—Mo1 | 89 (3) |
| O10—Mo3—O16B | 68.3 (5) | Mo4—O11A—Mo1 | 143.0 (10) |
| O11B—Mo3—O16B | 72.6 (6) | O11B—O11A—Mo3 | 77 (2) |
| O11A—Mo3—O16B | 62.9 (7) | Mo4—O11A—Mo3 | 111.0 (9) |
| O14A—Mo3—O16B | 112.4 (6) | Mo1—O11A—Mo3 | 104.4 (8) |
| O14—Mo3—O16B | 88.8 (6) | O11A—O11B—Mo3 | 83 (2) |
| O4—Mo4—O22 | 101.8 (5) | O11A—O11B—Mo1 | 72 (2) |
| O4—Mo4—O13 | 100.9 (5) | Mo3—O11B—Mo1 | 101.9 (7) |
| O22—Mo4—O13 | 96.4 (5) | O11A—O11B—Mo4 | 54 (2) |
| O4—Mo4—O14 | 110.5 (6) | Mo3—O11B—Mo4 | 100.4 (7) |
| O22—Mo4—O14 | 91.7 (6) | Mo1—O11B—Mo4 | 117.2 (7) |
| O13—Mo4—O14 | 145.2 (6) | Mo7—O12—Mo2i | 138.9 (6) |
| O4—Mo4—O11A | 106.1 (6) | Mo4—O13—Mo5 | 135.4 (6) |
| O22—Mo4—O11A | 148.9 (7) | O14A—O14—Mo4 | 101.1 (17) |
| O13—Mo4—O11A | 91.8 (6) | O14A—O14—Mo6i | 88.3 (16) |
| O14—Mo4—O11A | 65.8 (7) | Mo4—O14—Mo6i | 145.8 (9) |
| O4—Mo4—O11B | 89.0 (5) | O14A—O14—Mo3 | 73.9 (15) |
| O22—Mo4—O11B | 164.8 (6) | Mo4—O14—Mo3 | 108.0 (7) |
| O13—Mo4—O11B | 91.9 (5) | Mo6i—O14—Mo3 | 106.1 (7) |
| O14—Mo4—O11B | 74.4 (6) | O14—O14A—Mo3 | 82.4 (16) |
| O11A—Mo4—O11B | 17.4 (6) | O14—O14A—Mo6i | 67.2 (15) |
| O4—Mo4—O14A | 88.1 (5) | Mo3—O14A—Mo6i | 102.7 (7) |
| O22—Mo4—O14A | 93.1 (5) | O14—O14A—Mo4 | 56.2 (15) |
| O13—Mo4—O14A | 165.3 (5) | Mo3—O14A—Mo4 | 98.6 (7) |
| O14—Mo4—O14A | 22.7 (5) | Mo6i—O14A—Mo4 | 115.3 (8) |
| O11A—Mo4—O14A | 74.4 (7) | Mo6—O15—Mo2 | 138.4 (7) |
| O11B—Mo4—O14A | 76.5 (6) | O16B—O16—Mo3 | 92.8 (19) |
| O4—Mo4—O17Bi | 153.6 (4) | O16B—O16—Mo7i | 63.9 (19) |
| O22—Mo4—O17Bi | 66.0 (5) | Mo3—O16—Mo7i | 104.0 (7) |
| O13—Mo4—O17Bi | 103.7 (5) | O16B—O16—Mo1 | 58.0 (18) |
| O14—Mo4—O17Bi | 49.8 (6) | Mo3—O16—Mo1 | 101.4 (7) |
| O11A—Mo4—O17Bi | 82.9 (6) | Mo7i—O16—Mo1 | 116.9 (8) |
| O11B—Mo4—O17Bi | 99.7 (5) | O16—O16B—Mo1 | 102 (2) |
| O14A—Mo4—O17Bi | 70.0 (5) | O16—O16B—Mo7i | 95 (2) |
| O4—Mo4—O18Bi | 153.7 (4) | Mo1—O16B—Mo7i | 149.0 (9) |
| O22—Mo4—O18Bi | 102.3 (5) | O16—O16B—Mo3 | 66.6 (18) |
| O13—Mo4—O18Bi | 66.0 (4) | Mo1—O16B—Mo3 | 105.3 (7) |
| O14—Mo4—O18Bi | 79.3 (6) | Mo7i—O16B—Mo3 | 105.2 (7) |
| O11A—Mo4—O18Bi | 54.4 (6) | Si1—O17A—O18Bi | 58.9 (6) |
| O11B—Mo4—O18Bi | 69.6 (5) | Si1—O17A—Mo7 | 122.6 (7) |
| O14A—Mo4—O18Bi | 101.0 (5) | O18Bi—O17A—Mo7 | 130.3 (8) |
| O17Bi—Mo4—O18Bi | 50.1 (5) | Si1—O17A—Mo5 | 125.7 (7) |
| O1—Mo5—O19 | 100.9 (5) | O18Bi—O17A—Mo5 | 66.8 (6) |
| O1—Mo5—O8 | 101.2 (4) | Mo7—O17A—Mo5 | 92.7 (5) |
| O19—Mo5—O8 | 90.3 (4) | Si1—O17A—Mo6 | 119.1 (7) |
| O1—Mo5—O6 | 101.8 (4) | O18Bi—O17A—Mo6 | 124.3 (8) |
| O19—Mo5—O6 | 157.2 (5) | Mo7—O17A—Mo6 | 99.0 (5) |
| O8—Mo5—O6 | 87.2 (4) | Mo5—O17A—Mo6 | 90.0 (4) |
| O1—Mo5—O13 | 99.9 (4) | Si1—O17B—Mo6 | 121.1 (7) |
| O19—Mo5—O13 | 87.1 (4) | Si1—O17B—Mo4i | 117.9 (6) |
| O8—Mo5—O13 | 158.8 (4) | Mo6—O17B—Mo4i | 100.9 (5) |
| O6—Mo5—O13 | 87.2 (4) | Si1—O17B—Mo2 | 123.6 (6) |
| O1—Mo5—O18Bi | 156.9 (4) | Mo6—O17B—Mo2 | 93.7 (4) |
| O19—Mo5—O18Bi | 62.6 (5) | Mo4i—O17B—Mo2 | 93.6 (5) |
| O8—Mo5—O18Bi | 95.3 (4) | Si1—O18A—Mo7i | 122.1 (7) |
| O6—Mo5—O18Bi | 95.0 (5) | Si1—O18A—Mo1 | 120.6 (7) |
| O13—Mo5—O18Bi | 64.9 (4) | Mo7i—O18A—Mo1 | 100.3 (5) |
| O1—Mo5—O17A | 160.3 (4) | Si1—O18A—Mo2 | 123.7 (6) |
| O19—Mo5—O17A | 94.5 (5) | Mo7i—O18A—Mo2 | 92.1 (4) |
| O8—Mo5—O17A | 66.2 (4) | Mo1—O18A—Mo2 | 90.4 (4) |
| O6—Mo5—O17A | 63.8 (4) | Si1—O18B—O17Ai | 55.4 (6) |
| O13—Mo5—O17A | 93.0 (5) | Si1—O18B—Mo5i | 125.8 (7) |
| O18Bi—Mo5—O17A | 42.8 (4) | O17Ai—O18B—Mo5i | 70.4 (6) |
| O2—Mo6—O8 | 101.7 (5) | Si1—O18B—Mo1i | 120.5 (6) |
| O2—Mo6—O15 | 101.0 (5) | O17Ai—O18B—Mo1i | 132.3 (8) |
| O8—Mo6—O15 | 96.4 (5) | Mo5i—O18B—Mo1i | 94.1 (5) |
| O2—Mo6—O14i | 111.8 (6) | Si1—O18B—Mo4i | 116.6 (7) |
| O8—Mo6—O14i | 143.8 (6) | O17Ai—O18B—Mo4i | 125.0 (8) |
| O15—Mo6—O14i | 90.5 (6) | Mo5i—O18B—Mo4i | 93.7 (4) |
| O2—Mo6—O10i | 98.0 (5) | Mo1i—O18B—Mo4i | 100.1 (5) |
| O8—Mo6—O10i | 92.2 (4) | Mo1—O19—Mo5 | 139.7 (7) |
| O15—Mo6—O10i | 157.0 (5) | Mo3—O20—O20A | 57.8 (11) |
| O14i—Mo6—O10i | 70.5 (5) | Mo3—O20A—O20 | 60.3 (11) |
| O2—Mo6—O14Ai | 87.4 (6) | O21—O21A—Mo3 | 57.7 (10) |
| O8—Mo6—O14Ai | 165.0 (5) | O21A—O21—Mo3 | 65.9 (11) |
| O15—Mo6—O14Ai | 93.6 (6) | Mo4—O22—Mo2i | 138.2 (6) |
| H··· | ||||
| N4—H4···O13ii | 0.86 | 2.15 | 2.973 (17) | 159 |
| N1—H1A···O21Aiii | 0.86 | 2.17 | 2.96 (3) | 152 |
| N1—H1A···O21iii | 0.86 | 2.05 | 2.844 (19) | 153 |
Selected bond lengths (Å)
| Si1—O17 | 1.606 (13) |
| Si1—O18 | 1.648 (13) |
| Si1—O18 | 1.670 (13) |
| Si1—O17 | 1.684 (13) |
| Fe1—N2 | 2.105 (11) |
| Fe1—N8 | 2.119 (11) |
| Fe1—N5 | 2.153 (11) |
| Fe1—N3 | 2.173 (11) |
| Fe1—N9 | 2.186 (12) |
| Fe1—N6 | 2.206 (11) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| N4—H4⋯O13i | 0.86 | 2.15 | 2.973 (17) | 159 |
| N1—H1 | 0.86 | 2.17 | 2.96 (3) | 152 |
| N1—H1 | 0.86 | 2.05 | 2.844 (19) | 153 |
Symmetry codes: (i) ; (ii) .