| Literature DB >> 21577465 |
Niaz Monadi, Iran Sheikhshoaie, Abdoreza Rezaeifard, Helen Stoeckli-Evans.
Abstract
In the crystal structure of the title compound, [Mo(C(27)H(24)N(2)O(2))O(2)]·1.75CH(2)Cl(2), the Mo(VI) ion is coordinated by two oxide O atoms and by two O and two N atoms of the tetra-dentate 1,1'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]di-2-naphtholate Schiff base ligand in a distorted octa-hedral configuration. The compound crystallizes with 1.75 mol-ecules of dichloro-methane per complex mol-ecule. In the crystal, symmetry-related mol-ecules are linked by a number of C-H⋯O inter-actions involving both the Schiff base ligand and the partly disordered dichloro-methane solvent mol-ecules, leading to the formation of a two-dimensional network extending parallel to (101).Entities:
Year: 2009 PMID: 21577465 PMCID: PMC2969995 DOI: 10.1107/S1600536809032759
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Mo(C27H24N2O2)O2]·1.75CH2Cl2 | |
| Monoclinic, | Mo |
| Hall symbol: -C 2yc | Cell parameters from 7998 reflections |
| θ = 2.0–26.1° | |
| µ = 0.79 mm−1 | |
| β = 112.861 (7)° | Block, red |
| 0.38 × 0.23 × 0.18 mm | |
| Stoe IPDS diffractometer | 5537 independent reflections |
| Radiation source: fine-focus sealed tube | 4789 reflections with |
| graphite | |
| φ rotation scans | θmax = 26.0°, θmin = 2.2° |
| Absorption correction: multi-scan (MULscanABS in | |
| 21863 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 | |
| 5537 reflections | (Δ/σ)max = 0.001 |
| 372 parameters | Δρmax = 1.08 e Å−3 |
| 0 restraints | Δρmin = −0.83 e Å−3 |
| Geometry. Bond distances, angles |
| Occ. (<1) | |||||
| Mo1 | 0.15195 (1) | 0.99201 (2) | 0.16605 (1) | 0.0203 (1) | |
| O1 | 0.11880 (7) | 0.83854 (17) | 0.10537 (10) | 0.0244 (5) | |
| O2 | 0.07965 (7) | 1.05359 (17) | 0.13420 (10) | 0.0243 (5) | |
| O3 | 0.17351 (8) | 1.04666 (19) | 0.10747 (10) | 0.0294 (6) | |
| O4 | 0.18137 (8) | 1.08694 (18) | 0.23387 (10) | 0.0292 (6) | |
| N1 | 0.21210 (9) | 0.8581 (2) | 0.20744 (11) | 0.0230 (7) | |
| N2 | 0.11991 (9) | 0.8840 (2) | 0.23353 (11) | 0.0226 (6) | |
| C1 | 0.14254 (11) | 0.7716 (2) | 0.07556 (14) | 0.0240 (8) | |
| C2 | 0.11155 (12) | 0.7170 (3) | 0.01261 (15) | 0.0320 (9) | |
| C3 | 0.13435 (13) | 0.6494 (3) | −0.02156 (16) | 0.0351 (9) | |
| C4 | 0.18908 (13) | 0.6260 (3) | 0.00395 (15) | 0.0297 (9) | |
| C5 | 0.21229 (15) | 0.5592 (3) | −0.03334 (16) | 0.0359 (10) | |
| C6 | 0.26506 (15) | 0.5380 (3) | −0.00885 (17) | 0.0378 (10) | |
| C7 | 0.29652 (14) | 0.5838 (3) | 0.05388 (18) | 0.0373 (10) | |
| C8 | 0.27554 (13) | 0.6506 (3) | 0.09176 (16) | 0.0312 (9) | |
| C9 | 0.22085 (12) | 0.6729 (2) | 0.06788 (14) | 0.0258 (8) | |
| C10 | 0.19693 (11) | 0.7471 (2) | 0.10402 (14) | 0.0240 (8) | |
| C11 | 0.22523 (11) | 0.7765 (2) | 0.17248 (14) | 0.0236 (8) | |
| C12 | 0.23835 (11) | 0.8489 (3) | 0.28089 (14) | 0.0259 (8) | |
| C13 | 0.20409 (11) | 0.7852 (3) | 0.31281 (14) | 0.0264 (8) | |
| C14 | 0.15487 (11) | 0.8626 (3) | 0.30383 (14) | 0.0265 (8) | |
| C15 | 0.07193 (11) | 0.8512 (2) | 0.21471 (14) | 0.0243 (8) | |
| C16 | 0.03019 (11) | 0.8852 (3) | 0.15189 (14) | 0.0237 (8) | |
| C17 | −0.01851 (11) | 0.8180 (3) | 0.12751 (14) | 0.0258 (8) | |
| C18 | −0.02482 (13) | 0.7013 (3) | 0.15323 (16) | 0.0317 (9) | |
| C19 | −0.07116 (14) | 0.6372 (3) | 0.12614 (18) | 0.0396 (11) | |
| C20 | −0.11356 (13) | 0.6855 (3) | 0.07190 (19) | 0.0412 (11) | |
| C21 | −0.10943 (12) | 0.7981 (3) | 0.04577 (16) | 0.0347 (9) | |
| C22 | −0.06213 (11) | 0.8663 (3) | 0.07250 (15) | 0.0277 (8) | |
| C23 | −0.05656 (12) | 0.9810 (3) | 0.04395 (16) | 0.0311 (9) | |
| C24 | −0.00985 (11) | 1.0411 (3) | 0.06555 (15) | 0.0276 (8) | |
| C25 | 0.03480 (11) | 0.9914 (2) | 0.11817 (15) | 0.0231 (8) | |
| C26 | 0.18840 (13) | 0.6549 (3) | 0.28459 (17) | 0.0347 (9) | |
| C27 | 0.23717 (13) | 0.7789 (3) | 0.38843 (15) | 0.0342 (9) | |
| Cl1A | 0.11134 (12) | 0.36651 (18) | 0.28031 (10) | 0.1016 (8) | 0.800 |
| Cl2 | 0.06716 (6) | 0.14580 (16) | 0.31642 (8) | 0.0913 (6) | |
| C28 | 0.0768 (2) | 0.2286 (5) | 0.2529 (2) | 0.0657 (17) | |
| Cl1B | 0.0605 (5) | 0.3839 (7) | 0.2649 (4) | 0.102 (4) | 0.200 |
| Cl3 | 0.02059 (6) | 0.4230 (2) | 0.09019 (10) | 0.0919 (8) | 0.750 |
| Cl4 | 0.13068 (6) | 0.4167 (3) | 0.11352 (11) | 0.0993 (8) | 0.750 |
| C29 | 0.0693 (3) | 0.3744 (8) | 0.0643 (4) | 0.088 (3) | 0.750 |
| H2 | 0.07450 | 0.72800 | −0.00560 | 0.0380* | |
| H3 | 0.11280 | 0.61660 | −0.06420 | 0.0420* | |
| H5 | 0.19070 | 0.52830 | −0.07640 | 0.0430* | |
| H6 | 0.28020 | 0.49240 | −0.03440 | 0.0450* | |
| H7 | 0.33330 | 0.56880 | 0.07100 | 0.0450* | |
| H8 | 0.29800 | 0.68190 | 0.13430 | 0.0370* | |
| H11 | 0.25700 | 0.73220 | 0.19510 | 0.0280* | |
| H12A | 0.24750 | 0.93330 | 0.29990 | 0.0310* | |
| H12B | 0.27150 | 0.80150 | 0.29240 | 0.0310* | |
| H14A | 0.13480 | 0.81950 | 0.32670 | 0.0320* | |
| H14B | 0.16620 | 0.94380 | 0.32610 | 0.0320* | |
| H15 | 0.06280 | 0.80030 | 0.24440 | 0.0290* | |
| H18 | 0.00360 | 0.66670 | 0.19000 | 0.0380* | |
| H19 | −0.07450 | 0.55900 | 0.14440 | 0.0480* | |
| H20 | −0.14540 | 0.63980 | 0.05320 | 0.0490* | |
| H21 | −0.13860 | 0.83090 | 0.00930 | 0.0420* | |
| H23 | −0.08610 | 1.01640 | 0.00910 | 0.0370* | |
| H24 | −0.00690 | 1.11740 | 0.04530 | 0.0330* | |
| H26A | 0.22010 | 0.60530 | 0.29290 | 0.0520* | |
| H26B | 0.16780 | 0.65990 | 0.23620 | 0.0520* | |
| H26C | 0.16720 | 0.61560 | 0.30650 | 0.0520* | |
| H27A | 0.26850 | 0.72800 | 0.39650 | 0.0510* | |
| H27B | 0.24790 | 0.86290 | 0.40570 | 0.0510* | |
| H27C | 0.21620 | 0.74190 | 0.41130 | 0.0510* | |
| H28A | 0.09620 | 0.17560 | 0.23290 | 0.0790* | 0.800 |
| H28B | 0.04210 | 0.24780 | 0.21730 | 0.0790* | 0.800 |
| H28C | 0.11240 | 0.21750 | 0.25530 | 0.0790* | 0.200 |
| H28D | 0.05230 | 0.20120 | 0.20920 | 0.0790* | 0.200 |
| H29A | 0.06810 | 0.28270 | 0.06100 | 0.1060* | 0.750 |
| H29B | 0.06140 | 0.40740 | 0.01870 | 0.1060* | 0.750 |
| Mo1 | 0.0189 (1) | 0.0204 (1) | 0.0216 (1) | −0.0010 (1) | 0.0080 (1) | −0.0015 (1) |
| O1 | 0.0227 (9) | 0.0256 (9) | 0.0249 (10) | −0.0011 (7) | 0.0092 (8) | −0.0046 (7) |
| O2 | 0.0215 (9) | 0.0231 (9) | 0.0287 (10) | 0.0001 (7) | 0.0103 (8) | 0.0010 (8) |
| O3 | 0.0272 (10) | 0.0320 (11) | 0.0308 (11) | −0.0018 (8) | 0.0133 (9) | 0.0012 (8) |
| O4 | 0.0278 (10) | 0.0257 (10) | 0.0315 (11) | −0.0013 (8) | 0.0086 (9) | −0.0053 (8) |
| N1 | 0.0193 (11) | 0.0271 (12) | 0.0220 (11) | 0.0005 (9) | 0.0074 (9) | −0.0015 (9) |
| N2 | 0.0246 (11) | 0.0235 (11) | 0.0205 (11) | 0.0036 (9) | 0.0097 (10) | 0.0005 (9) |
| C1 | 0.0292 (14) | 0.0198 (12) | 0.0249 (13) | −0.0016 (10) | 0.0127 (12) | 0.0000 (10) |
| C2 | 0.0312 (15) | 0.0290 (15) | 0.0301 (15) | 0.0010 (12) | 0.0058 (13) | −0.0057 (12) |
| C3 | 0.0465 (18) | 0.0275 (15) | 0.0261 (15) | −0.0007 (13) | 0.0086 (14) | −0.0046 (11) |
| C4 | 0.0446 (17) | 0.0215 (13) | 0.0280 (14) | −0.0004 (12) | 0.0196 (14) | 0.0005 (11) |
| C5 | 0.060 (2) | 0.0229 (14) | 0.0318 (16) | −0.0016 (13) | 0.0254 (16) | −0.0004 (12) |
| C6 | 0.062 (2) | 0.0243 (14) | 0.0428 (18) | 0.0024 (14) | 0.0375 (18) | 0.0004 (13) |
| C7 | 0.0467 (19) | 0.0271 (15) | 0.0501 (19) | 0.0051 (13) | 0.0318 (17) | 0.0059 (13) |
| C8 | 0.0372 (16) | 0.0276 (14) | 0.0352 (16) | 0.0024 (12) | 0.0212 (14) | 0.0019 (12) |
| C9 | 0.0358 (15) | 0.0181 (12) | 0.0290 (14) | 0.0015 (11) | 0.0186 (13) | 0.0029 (10) |
| C10 | 0.0277 (14) | 0.0205 (12) | 0.0243 (13) | −0.0003 (10) | 0.0107 (12) | 0.0001 (10) |
| C11 | 0.0215 (13) | 0.0247 (13) | 0.0278 (14) | 0.0021 (10) | 0.0132 (12) | 0.0015 (10) |
| C12 | 0.0224 (13) | 0.0310 (14) | 0.0203 (13) | 0.0046 (11) | 0.0038 (11) | −0.0023 (11) |
| C13 | 0.0263 (14) | 0.0291 (14) | 0.0221 (13) | 0.0048 (11) | 0.0077 (12) | −0.0005 (11) |
| C14 | 0.0271 (14) | 0.0318 (14) | 0.0206 (13) | 0.0033 (11) | 0.0094 (12) | 0.0012 (11) |
| C15 | 0.0267 (14) | 0.0241 (13) | 0.0257 (14) | 0.0008 (10) | 0.0141 (12) | 0.0019 (10) |
| C16 | 0.0222 (13) | 0.0257 (13) | 0.0243 (13) | 0.0024 (10) | 0.0104 (11) | −0.0016 (10) |
| C17 | 0.0267 (14) | 0.0285 (14) | 0.0252 (14) | −0.0004 (11) | 0.0133 (12) | −0.0051 (11) |
| C18 | 0.0350 (16) | 0.0318 (15) | 0.0327 (16) | −0.0036 (12) | 0.0180 (14) | −0.0024 (12) |
| C19 | 0.0454 (19) | 0.0353 (17) | 0.0453 (19) | −0.0133 (14) | 0.0254 (17) | −0.0073 (14) |
| C20 | 0.0330 (17) | 0.0463 (19) | 0.0472 (19) | −0.0173 (14) | 0.0188 (16) | −0.0143 (15) |
| C21 | 0.0243 (14) | 0.0477 (18) | 0.0331 (16) | −0.0042 (13) | 0.0121 (13) | −0.0106 (14) |
| C22 | 0.0216 (13) | 0.0359 (15) | 0.0274 (14) | −0.0016 (11) | 0.0116 (12) | −0.0072 (12) |
| C23 | 0.0238 (14) | 0.0383 (16) | 0.0279 (15) | 0.0042 (12) | 0.0065 (13) | −0.0009 (12) |
| C24 | 0.0261 (14) | 0.0284 (14) | 0.0283 (14) | 0.0043 (11) | 0.0106 (12) | 0.0036 (11) |
| C25 | 0.0209 (13) | 0.0230 (13) | 0.0263 (14) | 0.0011 (10) | 0.0101 (12) | −0.0035 (10) |
| C26 | 0.0378 (17) | 0.0294 (15) | 0.0369 (17) | 0.0023 (13) | 0.0145 (14) | 0.0008 (12) |
| C27 | 0.0332 (16) | 0.0433 (18) | 0.0248 (15) | 0.0124 (13) | 0.0097 (13) | 0.0043 (12) |
| Cl1A | 0.150 (2) | 0.0683 (11) | 0.0748 (11) | −0.0216 (12) | 0.0309 (13) | −0.0188 (9) |
| Cl2 | 0.0686 (8) | 0.1124 (12) | 0.0813 (9) | 0.0082 (8) | 0.0163 (7) | 0.0270 (8) |
| C28 | 0.067 (3) | 0.073 (3) | 0.064 (3) | −0.009 (2) | 0.033 (2) | −0.027 (2) |
| Cl1B | 0.166 (9) | 0.060 (4) | 0.073 (4) | 0.011 (5) | 0.040 (5) | −0.022 (3) |
| Cl3 | 0.0444 (8) | 0.150 (2) | 0.0799 (12) | 0.0113 (10) | 0.0225 (8) | −0.0222 (12) |
| Cl4 | 0.0402 (8) | 0.157 (2) | 0.0875 (13) | 0.0037 (10) | 0.0105 (8) | 0.0133 (13) |
| C29 | 0.057 (4) | 0.114 (6) | 0.100 (6) | −0.009 (4) | 0.038 (4) | −0.048 (5) |
| Mo1—O1 | 2.0888 (19) | C18—C19 | 1.369 (5) |
| Mo1—O2 | 1.957 (2) | C19—C20 | 1.397 (5) |
| Mo1—O3 | 1.702 (2) | C20—C21 | 1.362 (5) |
| Mo1—O4 | 1.713 (2) | C21—C22 | 1.412 (5) |
| Mo1—N1 | 2.118 (2) | C22—C23 | 1.417 (5) |
| Mo1—N2 | 2.297 (2) | C23—C24 | 1.354 (5) |
| Cl1A—C28 | 1.741 (6) | C24—C25 | 1.419 (4) |
| Cl1B—C28 | 1.778 (10) | C2—H2 | 0.9500 |
| Cl2—C28 | 1.744 (5) | C3—H3 | 0.9500 |
| Cl3—C29 | 1.727 (9) | C5—H5 | 0.9500 |
| Cl4—C29 | 1.677 (9) | C6—H6 | 0.9500 |
| O1—C1 | 1.302 (3) | C7—H7 | 0.9500 |
| O2—C25 | 1.330 (4) | C8—H8 | 0.9500 |
| N1—C12 | 1.472 (4) | C11—H11 | 0.9500 |
| N1—C11 | 1.300 (4) | C12—H12A | 0.9900 |
| N2—C14 | 1.470 (4) | C12—H12B | 0.9900 |
| N2—C15 | 1.275 (4) | C14—H14B | 0.9900 |
| C1—C10 | 1.409 (4) | C14—H14A | 0.9900 |
| C1—C2 | 1.425 (4) | C15—H15 | 0.9500 |
| C2—C3 | 1.355 (5) | C18—H18 | 0.9500 |
| C3—C4 | 1.415 (5) | C19—H19 | 0.9500 |
| C4—C5 | 1.408 (5) | C20—H20 | 0.9500 |
| C4—C9 | 1.413 (4) | C21—H21 | 0.9500 |
| C5—C6 | 1.362 (6) | C23—H23 | 0.9500 |
| C6—C7 | 1.388 (5) | C24—H24 | 0.9500 |
| C7—C8 | 1.377 (5) | C26—H26C | 0.9800 |
| C8—C9 | 1.413 (5) | C26—H26B | 0.9800 |
| C9—C10 | 1.445 (4) | C26—H26A | 0.9800 |
| C10—C11 | 1.417 (4) | C27—H27A | 0.9800 |
| C12—C13 | 1.533 (4) | C27—H27B | 0.9800 |
| C13—C26 | 1.525 (5) | C27—H27C | 0.9800 |
| C13—C27 | 1.535 (4) | C28—H28A | 0.9900 |
| C13—C14 | 1.541 (5) | C28—H28D | 0.9700 |
| C15—C16 | 1.447 (4) | C28—H28B | 0.9900 |
| C16—C25 | 1.389 (4) | C28—H28C | 0.9700 |
| C16—C17 | 1.435 (5) | C29—H29A | 0.9900 |
| C17—C18 | 1.413 (5) | C29—H29B | 0.9900 |
| C17—C22 | 1.423 (4) | ||
| O1—Mo1—O2 | 84.79 (8) | C1—C2—H2 | 120.00 |
| O1—Mo1—O3 | 90.00 (9) | C3—C2—H2 | 120.00 |
| O1—Mo1—O4 | 163.25 (9) | C2—C3—H3 | 119.00 |
| O1—Mo1—N1 | 78.85 (8) | C4—C3—H3 | 119.00 |
| O1—Mo1—N2 | 79.39 (8) | C4—C5—H5 | 119.00 |
| O2—Mo1—O3 | 102.96 (10) | C6—C5—H5 | 119.00 |
| O2—Mo1—O4 | 100.28 (10) | C5—C6—H6 | 120.00 |
| O2—Mo1—N1 | 154.77 (9) | C7—C6—H6 | 120.00 |
| O2—Mo1—N2 | 78.68 (9) | C6—C7—H7 | 119.00 |
| O3—Mo1—O4 | 104.21 (10) | C8—C7—H7 | 119.00 |
| O3—Mo1—N1 | 96.16 (10) | C7—C8—H8 | 120.00 |
| O3—Mo1—N2 | 169.12 (9) | C9—C8—H8 | 120.00 |
| O4—Mo1—N1 | 90.65 (9) | N1—C11—H11 | 117.00 |
| O4—Mo1—N2 | 85.92 (9) | C10—C11—H11 | 117.00 |
| N1—Mo1—N2 | 79.52 (9) | N1—C12—H12A | 109.00 |
| Mo1—O1—C1 | 124.64 (18) | N1—C12—H12B | 109.00 |
| Mo1—O2—C25 | 129.78 (16) | C13—C12—H12A | 109.00 |
| Mo1—N1—C11 | 124.36 (19) | C13—C12—H12B | 109.00 |
| Mo1—N1—C12 | 118.61 (18) | H12A—C12—H12B | 108.00 |
| C11—N1—C12 | 116.8 (2) | N2—C14—H14A | 109.00 |
| Mo1—N2—C14 | 118.55 (19) | N2—C14—H14B | 109.00 |
| Mo1—N2—C15 | 123.10 (18) | C13—C14—H14A | 109.00 |
| C14—N2—C15 | 118.0 (2) | C13—C14—H14B | 109.00 |
| O1—C1—C2 | 118.2 (3) | H14A—C14—H14B | 108.00 |
| O1—C1—C10 | 122.9 (2) | N2—C15—H15 | 117.00 |
| C2—C1—C10 | 118.9 (3) | C16—C15—H15 | 117.00 |
| C1—C2—C3 | 120.7 (3) | C17—C18—H18 | 119.00 |
| C2—C3—C4 | 122.3 (3) | C19—C18—H18 | 119.00 |
| C3—C4—C5 | 121.5 (3) | C18—C19—H19 | 120.00 |
| C3—C4—C9 | 118.7 (3) | C20—C19—H19 | 120.00 |
| C5—C4—C9 | 119.8 (3) | C19—C20—H20 | 120.00 |
| C4—C5—C6 | 121.3 (3) | C21—C20—H20 | 120.00 |
| C5—C6—C7 | 119.3 (3) | C20—C21—H21 | 120.00 |
| C6—C7—C8 | 121.4 (4) | C22—C21—H21 | 120.00 |
| C7—C8—C9 | 120.5 (3) | C22—C23—H23 | 119.00 |
| C4—C9—C8 | 117.8 (3) | C24—C23—H23 | 119.00 |
| C4—C9—C10 | 119.2 (3) | C23—C24—H24 | 120.00 |
| C8—C9—C10 | 122.9 (3) | C25—C24—H24 | 120.00 |
| C1—C10—C9 | 120.0 (3) | C13—C26—H26A | 110.00 |
| C1—C10—C11 | 118.5 (3) | C13—C26—H26B | 110.00 |
| C9—C10—C11 | 120.5 (3) | C13—C26—H26C | 109.00 |
| N1—C11—C10 | 126.5 (3) | H26A—C26—H26B | 109.00 |
| N1—C12—C13 | 112.7 (2) | H26A—C26—H26C | 109.00 |
| C12—C13—C14 | 111.7 (3) | H26B—C26—H26C | 109.00 |
| C12—C13—C26 | 111.1 (3) | C13—C27—H27A | 109.00 |
| C12—C13—C27 | 106.6 (3) | C13—C27—H27B | 109.00 |
| C14—C13—C26 | 110.4 (3) | C13—C27—H27C | 109.00 |
| C14—C13—C27 | 106.8 (2) | H27A—C27—H27B | 109.00 |
| C26—C13—C27 | 110.2 (3) | H27A—C27—H27C | 110.00 |
| N2—C14—C13 | 114.1 (2) | H27B—C27—H27C | 109.00 |
| N2—C15—C16 | 125.4 (3) | Cl1A—C28—Cl2 | 113.5 (2) |
| C15—C16—C17 | 120.5 (3) | Cl1B—C28—Cl2 | 104.0 (4) |
| C15—C16—C25 | 120.0 (3) | Cl1A—C28—H28A | 109.00 |
| C17—C16—C25 | 119.1 (3) | Cl1A—C28—H28B | 109.00 |
| C16—C17—C18 | 123.1 (3) | Cl2—C28—H28A | 109.00 |
| C16—C17—C22 | 119.4 (3) | Cl2—C28—H28B | 109.00 |
| C18—C17—C22 | 117.5 (3) | Cl2—C28—H28C | 111.00 |
| C17—C18—C19 | 121.2 (3) | Cl2—C28—H28D | 111.00 |
| C18—C19—C20 | 120.7 (3) | Cl1B—C28—H28C | 115.00 |
| C19—C20—C21 | 120.2 (3) | Cl1B—C28—H28D | 108.00 |
| C20—C21—C22 | 120.5 (3) | H28A—C28—H28B | 108.00 |
| C17—C22—C21 | 120.0 (3) | H28C—C28—H28D | 109.00 |
| C17—C22—C23 | 119.0 (3) | Cl3—C29—Cl4 | 115.7 (5) |
| C21—C22—C23 | 121.0 (3) | Cl3—C29—H29A | 109.00 |
| C22—C23—C24 | 121.1 (3) | Cl3—C29—H29B | 108.00 |
| C23—C24—C25 | 120.7 (3) | Cl4—C29—H29A | 108.00 |
| O2—C25—C16 | 123.0 (3) | Cl4—C29—H29B | 108.00 |
| O2—C25—C24 | 116.7 (2) | H29A—C29—H29B | 107.00 |
| C16—C25—C24 | 120.3 (3) | ||
| O2—Mo1—O1—C1 | 149.5 (2) | C9—C4—C5—C6 | 0.4 (5) |
| O3—Mo1—O1—C1 | 46.5 (2) | C3—C4—C9—C8 | −178.7 (3) |
| N1—Mo1—O1—C1 | −49.8 (2) | C3—C4—C9—C10 | −2.4 (4) |
| N2—Mo1—O1—C1 | −131.1 (2) | C5—C4—C9—C8 | 0.3 (4) |
| O1—Mo1—O2—C25 | 33.1 (2) | C5—C4—C9—C10 | 176.6 (3) |
| O3—Mo1—O2—C25 | 121.9 (2) | C4—C5—C6—C7 | −0.4 (5) |
| O4—Mo1—O2—C25 | −130.7 (2) | C5—C6—C7—C8 | −0.3 (5) |
| N1—Mo1—O2—C25 | −16.4 (4) | C6—C7—C8—C9 | 0.9 (5) |
| N2—Mo1—O2—C25 | −47.1 (2) | C7—C8—C9—C4 | −0.9 (4) |
| O1—Mo1—N1—C11 | 37.9 (2) | C7—C8—C9—C10 | −177.1 (3) |
| O1—Mo1—N1—C12 | −137.0 (2) | C4—C9—C10—C1 | 0.2 (4) |
| O2—Mo1—N1—C11 | 88.4 (3) | C4—C9—C10—C11 | 168.5 (3) |
| O2—Mo1—N1—C12 | −86.5 (3) | C8—C9—C10—C1 | 176.3 (3) |
| O3—Mo1—N1—C11 | −50.9 (2) | C8—C9—C10—C11 | −15.4 (4) |
| O3—Mo1—N1—C12 | 134.2 (2) | C1—C10—C11—N1 | −23.9 (4) |
| O4—Mo1—N1—C11 | −155.3 (2) | C9—C10—C11—N1 | 167.7 (3) |
| O4—Mo1—N1—C12 | 29.9 (2) | N1—C12—C13—C14 | −65.6 (3) |
| N2—Mo1—N1—C11 | 119.0 (2) | N1—C12—C13—C26 | 58.2 (3) |
| N2—Mo1—N1—C12 | −55.9 (2) | N1—C12—C13—C27 | 178.2 (2) |
| O1—Mo1—N2—C14 | 131.0 (2) | C12—C13—C14—N2 | 60.7 (3) |
| O1—Mo1—N2—C15 | −55.5 (2) | C26—C13—C14—N2 | −63.5 (3) |
| O2—Mo1—N2—C14 | −142.3 (2) | C27—C13—C14—N2 | 176.8 (3) |
| O2—Mo1—N2—C15 | 31.3 (2) | N2—C15—C16—C17 | 163.0 (3) |
| O4—Mo1—N2—C14 | −40.9 (2) | N2—C15—C16—C25 | −23.8 (4) |
| O4—Mo1—N2—C15 | 132.6 (2) | C15—C16—C17—C18 | −14.9 (5) |
| N1—Mo1—N2—C14 | 50.5 (2) | C15—C16—C17—C22 | 168.7 (3) |
| N1—Mo1—N2—C15 | −136.0 (2) | C25—C16—C17—C18 | 171.9 (3) |
| Mo1—O1—C1—C2 | −147.8 (2) | C25—C16—C17—C22 | −4.6 (4) |
| Mo1—O1—C1—C10 | 34.8 (3) | C15—C16—C25—O2 | 12.1 (4) |
| Mo1—O2—C25—C16 | 35.8 (4) | C15—C16—C25—C24 | −165.6 (3) |
| Mo1—O2—C25—C24 | −146.5 (2) | C17—C16—C25—O2 | −174.6 (3) |
| Mo1—N1—C11—C10 | −11.9 (4) | C17—C16—C25—C24 | 7.7 (4) |
| C12—N1—C11—C10 | 163.0 (3) | C16—C17—C18—C19 | −176.5 (3) |
| Mo1—N1—C12—C13 | 75.1 (3) | C22—C17—C18—C19 | 0.1 (5) |
| C11—N1—C12—C13 | −100.2 (3) | C16—C17—C22—C21 | 176.7 (3) |
| Mo1—N2—C14—C13 | −61.8 (3) | C16—C17—C22—C23 | −1.1 (5) |
| C15—N2—C14—C13 | 124.3 (3) | C18—C17—C22—C21 | 0.1 (5) |
| Mo1—N2—C15—C16 | −5.7 (4) | C18—C17—C22—C23 | −177.8 (3) |
| C14—N2—C15—C16 | 167.9 (3) | C17—C18—C19—C20 | 0.3 (6) |
| O1—C1—C2—C3 | 178.1 (3) | C18—C19—C20—C21 | −0.8 (6) |
| C10—C1—C2—C3 | −4.4 (4) | C19—C20—C21—C22 | 0.9 (5) |
| O1—C1—C10—C9 | −179.4 (2) | C20—C21—C22—C17 | −0.6 (5) |
| O1—C1—C10—C11 | 12.0 (4) | C20—C21—C22—C23 | 177.3 (3) |
| C2—C1—C10—C9 | 3.1 (4) | C17—C22—C23—C24 | 3.9 (5) |
| C2—C1—C10—C11 | −165.4 (2) | C21—C22—C23—C24 | −174.0 (3) |
| C1—C2—C3—C4 | 2.2 (5) | C22—C23—C24—C25 | −0.8 (5) |
| C2—C3—C4—C5 | −177.8 (3) | C23—C24—C25—O2 | 177.1 (3) |
| C2—C3—C4—C9 | 1.2 (5) | C23—C24—C25—C16 | −5.1 (5) |
| C3—C4—C5—C6 | 179.3 (3) |
| H··· | ||||
| C6—H6···O3i | 0.95 | 2.43 | 3.328 (5) | 159 |
| C11—H11···O4ii | 0.95 | 2.38 | 3.297 (3) | 161 |
| C12—H12A···O4 | 0.99 | 2.47 | 2.974 (4) | 111 |
| C27—H27A···O3ii | 0.98 | 2.55 | 3.490 (4) | 161 |
| C28—H28A···O2iii | 0.99 | 2.40 | 3.213 (5) | 139 |
| C28—H28A···O4iii | 0.99 | 2.53 | 3.429 (6) | 151 |
Selected bond lengths (Å)
| Mo1—O1 | 2.0888 (19) |
| Mo1—O2 | 1.957 (2) |
| Mo1—O3 | 1.702 (2) |
| Mo1—O4 | 1.713 (2) |
| Mo1—N1 | 2.118 (2) |
| Mo1—N2 | 2.297 (2) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C6—H6⋯O3i | 0.95 | 2.43 | 3.328 (5) | 159 |
| C11—H11⋯O4ii | 0.95 | 2.38 | 3.297 (3) | 161 |
| C12—H12 | 0.99 | 2.47 | 2.974 (4) | 111 |
| C27—H27 | 0.98 | 2.55 | 3.490 (4) | 161 |
| C28—H28 | 0.99 | 2.40 | 3.213 (5) | 139 |
| C28—H28 | 0.99 | 2.53 | 3.429 (6) | 151 |
Symmetry codes: (i) ; (ii) ; (iii) .