| Literature DB >> 21581158 |
Yuan Cao, Yulin Chen, Guosheng Cheng.
Abstract
The title compound, (C(4)H(12)N)(3)[CuMo(2)S(8)]·C(3)H(7)NO, was obtained from the self-assembly of tetra-thio-molybdate, tetra-methyl-ammonium nitrate and cuprous sulfide in dimethyl-formamide (DMF). The asymmetric unit contains three (NMe(4))(+) cations, one [Mo(2)S(8)Cu](3-) anion and one DMF solvent mol-ecule, and no obvious inter-actions are observed between these species. The trinuclear anion can be viewed as fused [MoS(4)Cu](-) units sharing a copper center. The geometric parameters of the trivalent anion are comparable to those reported for other related salts including isomorphous anions, namely (NEt(4))(2)(PPh(4))[Mo(2)S(8)Cu] (a) and (Ph(3)P=N=PPh(3))(2)(NEt(4))[W(2)S(8)Cu]·2CH(3)CN (b). However, the Mo-Cu-Mo angle is found to be 160.24 (3)° for the title salt, while this angle is 162.97 (2)° in (a) and the W-Cu-W angle is 170.3 (2)° in (b), indicating that the largest deviation from linearity is in the title compound.Entities:
Year: 2008 PMID: 21581158 PMCID: PMC2959934 DOI: 10.1107/S1600536808036532
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| (C4H12N)3[CuMo2S8]·C3H7NO | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 7032 reflections |
| θ = 1.2–26.1º | |
| µ = 1.87 mm−1 | |
| β = 98.60 (3)º | Polyhedron, black red |
| 0.40 × 0.30 × 0.25 mm | |
| Bruker APEX CCD area-detector diffractometer | 6625 independent reflections |
| Radiation source: fine-focus sealed tube | 5061 reflections with |
| Monochromator: graphite | |
| θmax = 26.0º | |
| φ and ω scans | θmin = 1.5º |
| Absorption correction: multi-scan(SADABS; Bruker, 1998) | |
| 17155 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| | |
| (Δ/σ)max < 0.001 | |
| 6625 reflections | Δρmax = 0.93 e Å−3 |
| 274 parameters | Δρmin = −0.85 e Å−3 |
| Primary atom site location: structure-invariant direct methods | Extinction correction: none |
| Mo1 | 0.25496 (5) | 0.15816 (2) | 0.93899 (3) | 0.04775 (14) | |
| Mo2 | 0.31519 (5) | 0.05342 (2) | 0.66754 (3) | 0.04773 (14) | |
| Cu1 | 0.24065 (7) | 0.09541 (3) | 0.80223 (4) | 0.04912 (18) | |
| S1 | 0.11495 (15) | 0.18682 (7) | 0.83342 (8) | 0.0494 (3) | |
| S2 | 0.31587 (15) | 0.05454 (7) | 0.92589 (8) | 0.0489 (3) | |
| S3 | 0.12487 (15) | 0.02298 (7) | 0.71839 (8) | 0.0483 (3) | |
| S4 | 0.43472 (16) | 0.12836 (7) | 0.74081 (8) | 0.0514 (3) | |
| S5 | 0.45325 (16) | −0.03117 (8) | 0.65994 (8) | 0.0532 (3) | |
| S6 | 0.24512 (16) | 0.09507 (7) | 0.55703 (9) | 0.0543 (3) | |
| S7 | 0.44848 (16) | 0.21739 (7) | 0.95638 (8) | 0.0516 (3) | |
| S8 | 0.13280 (16) | 0.16860 (7) | 1.03204 (8) | 0.0522 (3) | |
| O1 | 0.1656 (5) | 0.1069 (2) | 1.2555 (3) | 0.0610 (11) | |
| N1 | 0.2487 (5) | 0.1922 (2) | 1.3279 (3) | 0.0500 (11) | |
| C11 | 0.2068 (7) | 0.1295 (3) | 1.3196 (4) | 0.0553 (14) | |
| H11A | 0.2088 | 0.1028 | 1.3624 | 0.066* | |
| C12 | 0.2912 (7) | 0.2217 (3) | 1.4013 (4) | 0.0605 (15) | |
| H12A | 0.3093 | 0.1879 | 1.4393 | 0.091* | |
| H12B | 0.2160 | 0.2499 | 1.4133 | 0.091* | |
| H12C | 0.3767 | 0.2471 | 1.4006 | 0.091* | |
| C13 | 0.2171 (7) | 0.2367 (3) | 1.2639 (4) | 0.0579 (15) | |
| H13A | 0.1901 | 0.2118 | 1.2179 | 0.087* | |
| H13B | 0.3006 | 0.2625 | 1.2592 | 0.087* | |
| H13C | 0.1398 | 0.2653 | 1.2719 | 0.087* | |
| N2 | 0.7731 (5) | 0.1115 (2) | 0.5453 (3) | 0.0507 (11) | |
| C21 | 0.8726 (7) | 0.1130 (3) | 0.4883 (4) | 0.0616 (16) | |
| H21A | 0.9607 | 0.0916 | 0.5089 | 0.092* | |
| H21B | 0.8918 | 0.1578 | 0.4761 | 0.092* | |
| H21C | 0.8301 | 0.0905 | 0.4429 | 0.092* | |
| C22 | 0.8482 (7) | 0.1530 (3) | 0.6068 (3) | 0.0549 (14) | |
| H22A | 0.9399 | 0.1340 | 0.6254 | 0.082* | |
| H22B | 0.7922 | 0.1557 | 0.6476 | 0.082* | |
| H22C | 0.8613 | 0.1963 | 0.5873 | 0.082* | |
| C23 | 0.6306 (7) | 0.1439 (3) | 0.5187 (4) | 0.0600 (15) | |
| H23A | 0.5717 | 0.1411 | 0.5583 | 0.090* | |
| H23B | 0.5839 | 0.1219 | 0.4738 | 0.090* | |
| H23C | 0.6457 | 0.1892 | 0.5070 | 0.090* | |
| C24 | 0.7503 (7) | 0.0474 (3) | 0.5762 (4) | 0.0557 (14) | |
| H24A | 0.8411 | 0.0269 | 0.5931 | 0.084* | |
| H24B | 0.6960 | 0.0207 | 0.5376 | 0.084* | |
| H24C | 0.6985 | 0.0519 | 0.6186 | 0.084* | |
| N3 | 0.7749 (5) | 0.0309 (2) | 0.8680 (3) | 0.0525 (11) | |
| C31 | 0.9019 (7) | −0.0048 (3) | 0.9017 (3) | 0.0554 (14) | |
| H31A | 0.9818 | 0.0248 | 0.9108 | 0.083* | |
| H31B | 0.9224 | −0.0389 | 0.8674 | 0.083* | |
| H31C | 0.8857 | −0.0241 | 0.9491 | 0.083* | |
| C32 | 0.7374 (7) | 0.0836 (3) | 0.9250 (4) | 0.0574 (14) | |
| H32A | 0.8146 | 0.1146 | 0.9350 | 0.086* | |
| H32B | 0.7231 | 0.0626 | 0.9719 | 0.086* | |
| H32C | 0.6513 | 0.1061 | 0.9036 | 0.086* | |
| C33 | 0.7972 (6) | 0.0578 (3) | 0.7979 (4) | 0.0577 (14) | |
| H33A | 0.8760 | 0.0881 | 0.8061 | 0.087* | |
| H33B | 0.7123 | 0.0805 | 0.7751 | 0.087* | |
| H33C | 0.8187 | 0.0232 | 0.7645 | 0.087* | |
| C34 | 0.6474 (4) | −0.01784 (16) | 0.85381 (19) | 0.0594 (14) | |
| H34A | 0.6675 | −0.0512 | 0.8185 | 0.089* | |
| H34B | 0.5620 | 0.0054 | 0.8329 | 0.089* | |
| H34C | 0.6339 | −0.0380 | 0.9012 | 0.089* | |
| N4 | 0.2179 (4) | 0.32703 (16) | 0.67898 (19) | 0.0504 (10) | |
| C41 | 0.2608 (4) | 0.27407 (16) | 0.63794 (19) | 0.0593 (15) | |
| H41A | 0.2482 | 0.2339 | 0.6647 | 0.089* | |
| H41B | 0.3599 | 0.2791 | 0.6325 | 0.089* | |
| H41C | 0.2037 | 0.2727 | 0.5883 | 0.089* | |
| C42 | 0.3149 (6) | 0.3291 (3) | 0.7528 (3) | 0.0522 (13) | |
| H42A | 0.3032 | 0.2897 | 0.7811 | 0.078* | |
| H42B | 0.2922 | 0.3666 | 0.7816 | 0.078* | |
| H42C | 0.4124 | 0.3322 | 0.7436 | 0.078* | |
| C43 | 0.2388 (6) | 0.3897 (3) | 0.6357 (3) | 0.0512 (13) | |
| H43A | 0.3368 | 0.3929 | 0.6276 | 0.077* | |
| H43B | 0.2152 | 0.4269 | 0.6647 | 0.077* | |
| H43C | 0.1774 | 0.3890 | 0.5873 | 0.077* | |
| C44 | 0.0667 (6) | 0.3221 (3) | 0.6915 (4) | 0.0560 (14) | |
| H44A | 0.0536 | 0.2824 | 0.7190 | 0.084* | |
| H44B | 0.0053 | 0.3214 | 0.6432 | 0.084* | |
| H44C | 0.0431 | 0.3593 | 0.7206 | 0.084* |
| Mo1 | 0.0462 (3) | 0.0487 (3) | 0.0477 (3) | 0.00610 (19) | 0.00487 (19) | −0.00193 (19) |
| Mo2 | 0.0459 (3) | 0.0490 (3) | 0.0484 (3) | 0.00548 (19) | 0.00763 (19) | 0.00304 (19) |
| Cu1 | 0.0491 (4) | 0.0505 (4) | 0.0476 (4) | 0.0071 (3) | 0.0065 (3) | −0.0035 (3) |
| S1 | 0.0479 (7) | 0.0533 (7) | 0.0479 (7) | 0.0088 (6) | 0.0104 (6) | −0.0037 (6) |
| S2 | 0.0476 (7) | 0.0524 (7) | 0.0464 (7) | 0.0074 (6) | 0.0060 (5) | −0.0030 (6) |
| S3 | 0.0467 (7) | 0.0504 (7) | 0.0484 (7) | 0.0073 (5) | 0.0092 (6) | 0.0045 (6) |
| S4 | 0.0545 (8) | 0.0472 (7) | 0.0531 (7) | 0.0107 (6) | 0.0103 (6) | 0.0061 (6) |
| S5 | 0.0503 (8) | 0.0580 (8) | 0.0526 (7) | 0.0073 (6) | 0.0124 (6) | 0.0045 (6) |
| S6 | 0.0538 (8) | 0.0518 (8) | 0.0567 (8) | 0.0112 (6) | 0.0069 (6) | −0.0029 (6) |
| S7 | 0.0513 (7) | 0.0521 (7) | 0.0526 (7) | 0.0119 (6) | 0.0118 (6) | −0.0056 (6) |
| S8 | 0.0511 (7) | 0.0520 (7) | 0.0540 (8) | 0.0122 (6) | 0.0101 (6) | 0.0052 (6) |
| O1 | 0.058 (2) | 0.069 (3) | 0.056 (2) | 0.014 (2) | 0.0089 (19) | 0.022 (2) |
| N1 | 0.046 (2) | 0.050 (3) | 0.055 (3) | −0.0102 (19) | 0.011 (2) | 0.012 (2) |
| C11 | 0.053 (3) | 0.053 (3) | 0.061 (4) | −0.015 (3) | 0.010 (3) | 0.015 (3) |
| C12 | 0.062 (4) | 0.053 (3) | 0.068 (4) | −0.014 (3) | 0.014 (3) | 0.010 (3) |
| C13 | 0.063 (3) | 0.044 (3) | 0.061 (3) | 0.009 (3) | −0.006 (3) | −0.015 (3) |
| N2 | 0.051 (3) | 0.051 (3) | 0.051 (3) | −0.005 (2) | 0.011 (2) | 0.011 (2) |
| C21 | 0.060 (4) | 0.056 (3) | 0.061 (3) | 0.017 (3) | −0.015 (3) | 0.008 (3) |
| C22 | 0.051 (3) | 0.067 (4) | 0.050 (3) | 0.005 (3) | 0.017 (2) | 0.010 (3) |
| C23 | 0.067 (4) | 0.051 (3) | 0.054 (3) | 0.020 (3) | −0.015 (3) | 0.008 (3) |
| C24 | 0.054 (3) | 0.059 (3) | 0.055 (3) | 0.013 (3) | 0.008 (3) | 0.008 (3) |
| N3 | 0.056 (3) | 0.047 (2) | 0.054 (3) | −0.004 (2) | 0.009 (2) | −0.004 (2) |
| C31 | 0.067 (4) | 0.049 (3) | 0.051 (3) | 0.009 (3) | 0.011 (3) | 0.009 (2) |
| C32 | 0.056 (3) | 0.063 (4) | 0.054 (3) | −0.006 (3) | 0.009 (3) | 0.015 (3) |
| C33 | 0.040 (3) | 0.064 (4) | 0.070 (4) | −0.005 (2) | 0.009 (3) | 0.013 (3) |
| C34 | 0.059 (4) | 0.057 (3) | 0.062 (4) | 0.004 (3) | 0.011 (3) | 0.010 (3) |
| N4 | 0.049 (3) | 0.045 (2) | 0.057 (3) | −0.010 (2) | 0.006 (2) | 0.006 (2) |
| C41 | 0.066 (4) | 0.063 (4) | 0.049 (3) | 0.010 (3) | 0.009 (3) | 0.015 (3) |
| C42 | 0.047 (3) | 0.057 (3) | 0.054 (3) | −0.006 (2) | 0.011 (2) | 0.011 (3) |
| C43 | 0.050 (3) | 0.056 (3) | 0.050 (3) | −0.015 (2) | 0.015 (2) | −0.011 (2) |
| C44 | 0.053 (3) | 0.051 (3) | 0.059 (3) | 0.012 (3) | −0.005 (3) | 0.009 (3) |
| Mo1—S8 | 2.1589 (16) | C23—H23C | 0.9600 |
| Mo1—S7 | 2.1710 (17) | C24—H24A | 0.9600 |
| Mo1—S1 | 2.2013 (16) | C24—H24B | 0.9600 |
| Mo1—S2 | 2.2057 (15) | C24—H24C | 0.9600 |
| Mo1—Cu1 | 2.7241 (9) | N3—C33 | 1.401 (8) |
| Mo2—S6 | 2.1451 (17) | N3—C31 | 1.453 (8) |
| Mo2—S5 | 2.1742 (16) | N3—C32 | 1.549 (9) |
| Mo2—S4 | 2.2006 (17) | N3—C34 | 1.550 (6) |
| Mo2—S3 | 2.2148 (16) | C31—H31A | 0.9600 |
| Mo2—Cu1 | 2.7241 (10) | C31—H31B | 0.9600 |
| Cu1—S3 | 2.2549 (17) | C31—H31C | 0.9600 |
| Cu1—S1 | 2.3161 (15) | C32—H32A | 0.9600 |
| Cu1—S2 | 2.3518 (16) | C32—H32B | 0.9600 |
| Cu1—S4 | 2.3630 (17) | C32—H32C | 0.9600 |
| O1—C11 | 1.232 (8) | C33—H33A | 0.9600 |
| N1—C11 | 1.338 (8) | C33—H33B | 0.9600 |
| N1—C12 | 1.434 (9) | C33—H33C | 0.9600 |
| N1—C13 | 1.447 (8) | C34—H34A | 0.9600 |
| C11—H11A | 0.9300 | C34—H34B | 0.9600 |
| C12—H12A | 0.9600 | C34—H34C | 0.9600 |
| C12—H12B | 0.9600 | N4—C41 | 1.392 (9) |
| C12—H12C | 0.9600 | N4—C42 | 1.481 (7) |
| C13—H13A | 0.9600 | N4—C44 | 1.481 (7) |
| C13—H13B | 0.9600 | N4—C43 | 1.515 (7) |
| C13—H13C | 0.9600 | C41—H41A | 0.9600 |
| N2—C24 | 1.443 (8) | C41—H41B | 0.9600 |
| N2—C22 | 1.473 (8) | C41—H41C | 0.9600 |
| N2—C21 | 1.478 (9) | C42—H42A | 0.9600 |
| N2—C23 | 1.508 (7) | C42—H42B | 0.9600 |
| C21—H21A | 0.9600 | C42—H42C | 0.9600 |
| C21—H21B | 0.9600 | C43—H43A | 0.9600 |
| C21—H21C | 0.9600 | C43—H43B | 0.9600 |
| C22—H22A | 0.9600 | C43—H43C | 0.9600 |
| C22—H22B | 0.9600 | C44—H44A | 0.9600 |
| C22—H22C | 0.9600 | C44—H44B | 0.9600 |
| C23—H23A | 0.9600 | C44—H44C | 0.9600 |
| C23—H23B | 0.9600 | ||
| S8—Mo1—S7 | 111.79 (6) | H22B—C22—H22C | 109.5 |
| S8—Mo1—S1 | 107.55 (6) | N2—C23—H23A | 109.5 |
| S7—Mo1—S1 | 111.04 (6) | N2—C23—H23B | 109.5 |
| S8—Mo1—S2 | 110.59 (6) | H23A—C23—H23B | 109.5 |
| S7—Mo1—S2 | 108.54 (6) | N2—C23—H23C | 109.5 |
| S1—Mo1—S2 | 107.24 (6) | H23A—C23—H23C | 109.5 |
| S8—Mo1—Cu1 | 139.84 (5) | H23B—C23—H23C | 109.5 |
| S7—Mo1—Cu1 | 108.35 (5) | N2—C24—H24A | 109.5 |
| S1—Mo1—Cu1 | 54.87 (4) | N2—C24—H24B | 109.5 |
| S2—Mo1—Cu1 | 55.80 (4) | H24A—C24—H24B | 109.5 |
| S6—Mo2—S5 | 111.20 (6) | N2—C24—H24C | 109.5 |
| S6—Mo2—S4 | 109.02 (6) | H24A—C24—H24C | 109.5 |
| S5—Mo2—S4 | 108.98 (6) | H24B—C24—H24C | 109.5 |
| S6—Mo2—S3 | 108.88 (6) | C33—N3—C31 | 109.6 (5) |
| S5—Mo2—S3 | 109.52 (6) | C33—N3—C32 | 112.8 (5) |
| S4—Mo2—S3 | 109.21 (6) | C31—N3—C32 | 109.4 (5) |
| S6—Mo2—Cu1 | 126.23 (5) | C33—N3—C34 | 108.8 (4) |
| S5—Mo2—Cu1 | 122.54 (5) | C31—N3—C34 | 108.6 (4) |
| S4—Mo2—Cu1 | 56.14 (4) | C32—N3—C34 | 107.5 (4) |
| S3—Mo2—Cu1 | 53.12 (5) | N3—C31—H31A | 109.5 |
| S3—Cu1—S1 | 117.80 (6) | N3—C31—H31B | 109.5 |
| S3—Cu1—S2 | 115.59 (6) | H31A—C31—H31B | 109.5 |
| S1—Cu1—S2 | 98.94 (6) | N3—C31—H31C | 109.5 |
| S3—Cu1—S4 | 102.39 (6) | H31A—C31—H31C | 109.5 |
| S1—Cu1—S4 | 110.01 (6) | H31B—C31—H31C | 109.5 |
| S2—Cu1—S4 | 112.49 (6) | N3—C32—H32A | 109.5 |
| S3—Cu1—Mo2 | 51.78 (4) | N3—C32—H32B | 109.5 |
| S1—Cu1—Mo2 | 132.00 (5) | H32A—C32—H32B | 109.5 |
| S2—Cu1—Mo2 | 128.60 (4) | N3—C32—H32C | 109.5 |
| S4—Cu1—Mo2 | 50.66 (4) | H32A—C32—H32C | 109.5 |
| S3—Cu1—Mo1 | 147.85 (5) | H32B—C32—H32C | 109.5 |
| S1—Cu1—Mo1 | 51.01 (4) | N3—C33—H33A | 109.5 |
| S2—Cu1—Mo1 | 50.87 (4) | N3—C33—H33B | 109.5 |
| S4—Cu1—Mo1 | 109.76 (5) | H33A—C33—H33B | 109.5 |
| Mo2—Cu1—Mo1 | 160.24 (3) | N3—C33—H33C | 109.5 |
| Mo1—S1—Cu1 | 74.13 (5) | H33A—C33—H33C | 109.5 |
| Mo1—S2—Cu1 | 73.34 (5) | H33B—C33—H33C | 109.5 |
| Mo2—S3—Cu1 | 75.09 (5) | N3—C34—H34A | 109.5 |
| Mo2—S4—Cu1 | 73.20 (5) | N3—C34—H34B | 109.5 |
| C11—N1—C12 | 122.4 (5) | H34A—C34—H34B | 109.5 |
| C11—N1—C13 | 119.2 (5) | N3—C34—H34C | 109.5 |
| C12—N1—C13 | 116.6 (5) | H34A—C34—H34C | 109.5 |
| O1—C11—N1 | 120.3 (5) | H34B—C34—H34C | 109.5 |
| O1—C11—H11A | 119.9 | C41—N4—C42 | 107.0 (3) |
| N1—C11—H11A | 119.9 | C41—N4—C44 | 112.8 (3) |
| N1—C12—H12A | 109.5 | C42—N4—C44 | 110.6 (4) |
| N1—C12—H12B | 109.5 | C41—N4—C43 | 108.4 (3) |
| H12A—C12—H12B | 109.5 | C42—N4—C43 | 108.3 (4) |
| N1—C12—H12C | 109.5 | C44—N4—C43 | 109.5 (4) |
| H12A—C12—H12C | 109.5 | N4—C41—H41A | 109.5 |
| H12B—C12—H12C | 109.5 | N4—C41—H41B | 109.5 |
| N1—C13—H13A | 109.5 | H41A—C41—H41B | 109.5 |
| N1—C13—H13B | 109.5 | N4—C41—H41C | 109.5 |
| H13A—C13—H13B | 109.5 | H41A—C41—H41C | 109.5 |
| N1—C13—H13C | 109.5 | H41B—C41—H41C | 109.5 |
| H13A—C13—H13C | 109.5 | N4—C42—H42A | 109.5 |
| H13B—C13—H13C | 109.5 | N4—C42—H42B | 109.5 |
| C24—N2—C22 | 108.6 (5) | H42A—C42—H42B | 109.5 |
| C24—N2—C21 | 115.1 (5) | N4—C42—H42C | 109.5 |
| C22—N2—C21 | 102.0 (4) | H42A—C42—H42C | 109.5 |
| C24—N2—C23 | 109.7 (5) | H42B—C42—H42C | 109.5 |
| C22—N2—C23 | 106.8 (5) | N4—C43—H43A | 109.5 |
| C21—N2—C23 | 113.9 (5) | N4—C43—H43B | 109.5 |
| N2—C21—H21A | 109.5 | H43A—C43—H43B | 109.5 |
| N2—C21—H21B | 109.5 | N4—C43—H43C | 109.5 |
| H21A—C21—H21B | 109.5 | H43A—C43—H43C | 109.5 |
| N2—C21—H21C | 109.5 | H43B—C43—H43C | 109.5 |
| H21A—C21—H21C | 109.5 | N4—C44—H44A | 109.5 |
| H21B—C21—H21C | 109.5 | N4—C44—H44B | 109.5 |
| N2—C22—H22A | 109.5 | H44A—C44—H44B | 109.5 |
| N2—C22—H22B | 109.5 | N4—C44—H44C | 109.5 |
| H22A—C22—H22B | 109.5 | H44A—C44—H44C | 109.5 |
| N2—C22—H22C | 109.5 | H44B—C44—H44C | 109.5 |
| H22A—C22—H22C | 109.5 | ||
| S6—Mo2—Cu1—S3 | 87.24 (8) | S7—Mo1—Cu1—Mo2 | 3.80 (11) |
| S5—Mo2—Cu1—S3 | −90.96 (7) | S1—Mo1—Cu1—Mo2 | 107.05 (11) |
| S4—Mo2—Cu1—S3 | 176.95 (6) | S2—Mo1—Cu1—Mo2 | −96.54 (10) |
| S6—Mo2—Cu1—S1 | −7.91 (9) | S8—Mo1—S1—Cu1 | −139.25 (6) |
| S5—Mo2—Cu1—S1 | 173.89 (8) | S7—Mo1—S1—Cu1 | 98.15 (6) |
| S4—Mo2—Cu1—S1 | 81.80 (8) | S2—Mo1—S1—Cu1 | −20.28 (6) |
| S3—Mo2—Cu1—S1 | −95.15 (8) | S3—Cu1—S1—Mo1 | 143.57 (6) |
| S6—Mo2—Cu1—S2 | −178.47 (8) | S2—Cu1—S1—Mo1 | 18.32 (6) |
| S5—Mo2—Cu1—S2 | 3.34 (9) | S4—Cu1—S1—Mo1 | −99.67 (6) |
| S4—Mo2—Cu1—S2 | −88.76 (8) | Mo2—Cu1—S1—Mo1 | −154.22 (5) |
| S3—Mo2—Cu1—S2 | 94.29 (8) | S8—Mo1—S2—Cu1 | 137.04 (6) |
| S6—Mo2—Cu1—S4 | −89.71 (8) | S7—Mo1—S2—Cu1 | −99.99 (6) |
| S5—Mo2—Cu1—S4 | 92.10 (7) | S1—Mo1—S2—Cu1 | 20.04 (6) |
| S3—Mo2—Cu1—S4 | −176.95 (6) | S3—Cu1—S2—Mo1 | −145.14 (5) |
| S6—Mo2—Cu1—Mo1 | −98.05 (11) | S1—Cu1—S2—Mo1 | −18.36 (6) |
| S5—Mo2—Cu1—Mo1 | 83.75 (11) | S4—Cu1—S2—Mo1 | 97.75 (6) |
| S4—Mo2—Cu1—Mo1 | −8.35 (10) | Mo2—Cu1—S2—Mo1 | 154.55 (4) |
| S3—Mo2—Cu1—Mo1 | 174.71 (11) | S6—Mo2—S3—Cu1 | −121.63 (6) |
| S8—Mo1—Cu1—S3 | −5.97 (12) | S5—Mo2—S3—Cu1 | 116.59 (6) |
| S7—Mo1—Cu1—S3 | 175.98 (9) | S4—Mo2—S3—Cu1 | −2.69 (6) |
| S1—Mo1—Cu1—S3 | −80.77 (10) | S1—Cu1—S3—Mo2 | 123.21 (6) |
| S2—Mo1—Cu1—S3 | 75.63 (10) | S2—Cu1—S3—Mo2 | −120.22 (5) |
| S8—Mo1—Cu1—S1 | 74.81 (8) | S4—Cu1—S3—Mo2 | 2.42 (5) |
| S7—Mo1—Cu1—S1 | −103.25 (7) | Mo1—Cu1—S3—Mo2 | −176.64 (7) |
| S2—Mo1—Cu1—S1 | 156.40 (7) | S6—Mo2—S4—Cu1 | 121.44 (5) |
| S8—Mo1—Cu1—S2 | −81.60 (8) | S5—Mo2—S4—Cu1 | −117.02 (5) |
| S7—Mo1—Cu1—S2 | 100.35 (7) | S3—Mo2—S4—Cu1 | 2.59 (5) |
| S1—Mo1—Cu1—S2 | −156.40 (7) | S3—Cu1—S4—Mo2 | −2.46 (5) |
| S8—Mo1—Cu1—S4 | 175.01 (7) | S1—Cu1—S4—Mo2 | −128.49 (5) |
| S7—Mo1—Cu1—S4 | −3.04 (6) | S2—Cu1—S4—Mo2 | 122.26 (6) |
| S1—Mo1—Cu1—S4 | 100.20 (7) | Mo1—Cu1—S4—Mo2 | 177.01 (3) |
| S2—Mo1—Cu1—S4 | −103.39 (6) | C12—N1—C11—O1 | 177.0 (6) |
| S8—Mo1—Cu1—Mo2 | −178.14 (9) | C13—N1—C11—O1 | 13.0 (9) |