| Literature DB >> 21201325 |
Nataša Avramović1, Olivier Blacque, Helmut W Schmalle, Heinz Berke.
Abstract
The title binuclear compound, [W(2)Cl(6)(NO)(2)(C(10)H(22)P(2))(3)], contains two W atoms which are bridged by a bis-(diethyl-phosphino)-ethane (depe) ligand. The seven-coord-inated tungsten(II) centres display distorted penta-gonal-bipyramidal geometries with trans nitrosyl and chloride ligands. The title mol-ecule lies on a crystallographic inversion centre. The ethane group of the non-bridging depe ligand is positionally disordered, with site-occupancy factors of 0.63 and 0.37. In the crystal structure, the binuclear mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯Cl inter-actions. In addition, weak intra-molecular C-H⋯Cl inter-actions are also present.Entities:
Year: 2008 PMID: 21201325 PMCID: PMC2960239 DOI: 10.1107/S1600536808001141
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [W2Cl6(NO)2(C10H22P2)3] | |
| Orthorhombic, | Mo |
| Hall symbol: -P 2ac 2ab | Cell parameters from 7997 reflections |
| θ = 2.8–30.4º | |
| µ = 5.61 mm−1 | |
| Block, yellow | |
| 0.26 × 0.20 × 0.15 mm |
| Stoe IPDS diffractometer | 3982 independent reflections |
| Radiation source: fine-focus sealed tube | 3026 reflections with |
| Monochromator: graphite | |
| θmax = 25.0º | |
| φ oscillation scan | θmin = 2.8º |
| Absorption correction: numerical(Coppens | |
| 52250 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 | |
| 3982 reflections | Δρmax = 1.04 e Å−3 |
| 224 parameters | Δρmin = −1.27 e Å−3 |
| 1 restraint | Extinction correction: none |
| Primary atom site location: structure-invariant direct methods |
| 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) | |||||
| W1 | 0.826046 (13) | 0.388044 (11) | 0.379416 (7) | 0.01301 (6) | |
| Cl1 | 0.77419 (9) | 0.50925 (7) | 0.43099 (5) | 0.0229 (3) | |
| Cl2 | 0.95733 (9) | 0.33344 (8) | 0.30362 (5) | 0.0232 (3) | |
| Cl3 | 0.76818 (10) | 0.45607 (8) | 0.27925 (5) | 0.0261 (3) | |
| P1 | 0.75410 (11) | 0.26356 (8) | 0.33323 (6) | 0.0221 (3) | |
| P2 | 0.62919 (11) | 0.38137 (9) | 0.40971 (8) | 0.0319 (3) | |
| P3 | 0.99811 (9) | 0.46776 (7) | 0.39288 (5) | 0.0141 (3) | |
| N1 | 0.8622 (3) | 0.3381 (2) | 0.45154 (17) | 0.0180 (9) | |
| O1 | 0.8860 (3) | 0.3047 (2) | 0.50083 (16) | 0.0282 (9) | |
| C1 | 0.6454 (7) | 0.2268 (5) | 0.3833 (5) | 0.0341 (16) | 0.631 (8) |
| H1A | 0.6141 | 0.1827 | 0.3627 | 0.041* | 0.631 (8) |
| H1B | 0.6716 | 0.2120 | 0.4259 | 0.041* | 0.631 (8) |
| C2 | 0.5642 (6) | 0.2887 (5) | 0.3901 (5) | 0.0341 (16) | 0.631 (8) |
| H2A | 0.5147 | 0.2756 | 0.4244 | 0.041* | 0.631 (8) |
| H2B | 0.5248 | 0.2934 | 0.3497 | 0.041* | 0.631 (8) |
| C3 | 0.6069 (13) | 0.2531 (10) | 0.3577 (7) | 0.0341 (16) | 0.369 (8) |
| H3A | 0.5619 | 0.2840 | 0.3301 | 0.041* | 0.369 (8) |
| H3B | 0.5842 | 0.2007 | 0.3547 | 0.041* | 0.369 (8) |
| C4 | 0.6042 (13) | 0.2805 (9) | 0.4274 (7) | 0.0341 (16) | 0.369 (8) |
| H4A | 0.6597 | 0.2580 | 0.4538 | 0.041* | 0.369 (8) |
| H4B | 0.5360 | 0.2723 | 0.4478 | 0.041* | 0.369 (8) |
| C5 | 0.8399 (6) | 0.1786 (4) | 0.3396 (3) | 0.0505 (18) | |
| H5A | 0.7963 | 0.1345 | 0.3313 | 0.061* | |
| H5B | 0.8917 | 0.1813 | 0.3048 | 0.061* | |
| C6 | 0.8966 (6) | 0.1655 (4) | 0.4000 (4) | 0.072 (3) | |
| H6A | 0.9530 | 0.2016 | 0.4040 | 0.107* | |
| H6B | 0.9255 | 0.1152 | 0.3999 | 0.107* | |
| H6C | 0.8489 | 0.1709 | 0.4361 | 0.107* | |
| C7 | 0.7194 (6) | 0.2647 (3) | 0.2484 (3) | 0.0408 (15) | |
| H7A | 0.6749 | 0.3085 | 0.2405 | 0.049* | |
| H7B | 0.7837 | 0.2714 | 0.2232 | 0.049* | |
| C8 | 0.6617 (5) | 0.1942 (4) | 0.2226 (3) | 0.0484 (18) | |
| H8A | 0.7019 | 0.1497 | 0.2332 | 0.073* | |
| H8B | 0.6542 | 0.1980 | 0.1762 | 0.073* | |
| H8C | 0.5930 | 0.1909 | 0.2423 | 0.073* | |
| C9 | 0.5410 (4) | 0.4353 (5) | 0.3574 (3) | 0.051 (2) | |
| H9A | 0.5584 | 0.4886 | 0.3613 | 0.062* | |
| H9B | 0.5535 | 0.4205 | 0.3126 | 0.062* | |
| C10 | 0.4233 (5) | 0.4248 (7) | 0.3728 (3) | 0.099 (4) | |
| H10A | 0.3817 | 0.4455 | 0.3380 | 0.148* | |
| H10B | 0.4065 | 0.4504 | 0.4127 | 0.148* | |
| H10C | 0.4080 | 0.3718 | 0.3773 | 0.148* | |
| C11 | 0.5917 (5) | 0.4121 (4) | 0.4913 (3) | 0.0462 (19) | |
| H11A | 0.5940 | 0.4670 | 0.4927 | 0.055* | |
| H11B | 0.5192 | 0.3968 | 0.4992 | 0.055* | |
| C12 | 0.6603 (6) | 0.3814 (6) | 0.5455 (3) | 0.082 (3) | |
| H12A | 0.6658 | 0.3273 | 0.5415 | 0.123* | |
| H12B | 0.6291 | 0.3938 | 0.5868 | 0.123* | |
| H12C | 0.7295 | 0.4035 | 0.5428 | 0.123* | |
| C13 | 1.0135 (4) | 0.5223 (3) | 0.46896 (19) | 0.0157 (10) | |
| H13A | 1.0860 | 0.5398 | 0.4720 | 0.019* | |
| H13B | 0.9682 | 0.5666 | 0.4668 | 0.019* | |
| C14 | 1.1275 (4) | 0.4204 (3) | 0.3871 (2) | 0.0207 (10) | |
| H14A | 1.1397 | 0.4068 | 0.3419 | 0.025* | |
| H14B | 1.1818 | 0.4565 | 0.3994 | 0.025* | |
| C15 | 1.1407 (4) | 0.3499 (3) | 0.4285 (3) | 0.0306 (13) | |
| H15A | 1.1336 | 0.3630 | 0.4737 | 0.046* | |
| H15B | 1.2094 | 0.3285 | 0.4211 | 0.046* | |
| H15C | 1.0874 | 0.3135 | 0.4170 | 0.046* | |
| C16 | 1.0053 (4) | 0.5396 (3) | 0.3298 (2) | 0.0239 (12) | |
| H16A | 1.0112 | 0.5143 | 0.2880 | 0.029* | |
| H16B | 0.9390 | 0.5674 | 0.3297 | 0.029* | |
| C17 | 1.0947 (4) | 0.5963 (3) | 0.3352 (3) | 0.0340 (14) | |
| H17A | 1.0875 | 0.6246 | 0.3749 | 0.051* | |
| H17B | 1.0923 | 0.6305 | 0.2988 | 0.051* | |
| H17C | 1.1612 | 0.5700 | 0.3352 | 0.051* |
| W1 | 0.01297 (9) | 0.01534 (10) | 0.01072 (9) | 0.00073 (8) | 0.00014 (7) | 0.00121 (8) |
| Cl1 | 0.0221 (6) | 0.0214 (7) | 0.0251 (6) | 0.0079 (5) | −0.0026 (5) | −0.0062 (5) |
| Cl2 | 0.0198 (6) | 0.0291 (7) | 0.0206 (6) | 0.0006 (5) | 0.0059 (5) | −0.0074 (5) |
| Cl3 | 0.0311 (7) | 0.0298 (8) | 0.0174 (5) | 0.0003 (6) | −0.0063 (5) | 0.0073 (5) |
| P1 | 0.0230 (7) | 0.0242 (8) | 0.0190 (6) | −0.0073 (6) | 0.0008 (5) | −0.0066 (5) |
| P2 | 0.0183 (6) | 0.0265 (8) | 0.0510 (9) | −0.0004 (7) | 0.0133 (6) | −0.0013 (7) |
| P3 | 0.0145 (6) | 0.0166 (6) | 0.0113 (5) | −0.0011 (5) | 0.0025 (4) | 0.0009 (4) |
| N1 | 0.0156 (19) | 0.025 (2) | 0.0137 (18) | −0.0019 (18) | −0.0001 (15) | 0.0010 (18) |
| O1 | 0.033 (2) | 0.028 (2) | 0.0232 (18) | 0.0046 (17) | −0.0024 (16) | 0.0112 (16) |
| C1 | 0.022 (4) | 0.026 (4) | 0.055 (5) | −0.006 (3) | 0.011 (3) | 0.000 (3) |
| C2 | 0.022 (4) | 0.026 (4) | 0.055 (5) | −0.006 (3) | 0.011 (3) | 0.000 (3) |
| C3 | 0.022 (4) | 0.026 (4) | 0.055 (5) | −0.006 (3) | 0.011 (3) | 0.000 (3) |
| C4 | 0.022 (4) | 0.026 (4) | 0.055 (5) | −0.006 (3) | 0.011 (3) | 0.000 (3) |
| C5 | 0.073 (5) | 0.026 (4) | 0.052 (4) | −0.012 (3) | −0.027 (4) | 0.003 (3) |
| C6 | 0.068 (5) | 0.020 (4) | 0.127 (7) | 0.004 (4) | −0.052 (5) | 0.004 (4) |
| C7 | 0.065 (4) | 0.026 (3) | 0.032 (3) | −0.002 (3) | −0.029 (3) | −0.005 (3) |
| C8 | 0.063 (4) | 0.035 (4) | 0.047 (3) | 0.010 (3) | −0.036 (3) | −0.019 (3) |
| C9 | 0.023 (3) | 0.089 (6) | 0.042 (3) | 0.013 (3) | −0.013 (3) | −0.030 (4) |
| C10 | 0.015 (3) | 0.233 (13) | 0.049 (4) | 0.007 (5) | −0.004 (3) | −0.047 (6) |
| C11 | 0.026 (3) | 0.076 (6) | 0.037 (3) | 0.017 (3) | 0.017 (3) | 0.019 (3) |
| C12 | 0.045 (4) | 0.143 (9) | 0.058 (4) | 0.040 (5) | 0.025 (4) | 0.062 (5) |
| C13 | 0.019 (2) | 0.017 (3) | 0.011 (2) | −0.006 (2) | 0.0019 (18) | 0.0006 (19) |
| C14 | 0.016 (2) | 0.022 (3) | 0.024 (2) | 0.002 (2) | 0.004 (2) | −0.002 (2) |
| C15 | 0.028 (3) | 0.030 (3) | 0.034 (3) | 0.013 (2) | −0.001 (2) | 0.000 (3) |
| C16 | 0.032 (3) | 0.024 (3) | 0.017 (2) | −0.004 (2) | 0.004 (2) | 0.006 (2) |
| C17 | 0.034 (3) | 0.032 (4) | 0.036 (3) | −0.008 (3) | 0.003 (2) | 0.017 (3) |
| W1—P1 | 2.5598 (13) | C6—H6C | 0.9600 |
| W1—P2 | 2.5675 (14) | C7—C8 | 1.536 (8) |
| W1—P3 | 2.6051 (12) | C7—H7A | 0.9700 |
| W1—Cl1 | 2.4750 (12) | C7—H7B | 0.9700 |
| W1—Cl2 | 2.4703 (11) | C8—H8A | 0.9600 |
| W1—Cl3 | 2.4905 (11) | C8—H8B | 0.9600 |
| W1—N1 | 1.783 (4) | C8—H8C | 0.9600 |
| P1—C7 | 1.796 (5) | C9—C10 | 1.531 (8) |
| P1—C1 | 1.834 (8) | C9—H9A | 0.9700 |
| P1—C5 | 1.855 (7) | C9—H9B | 0.9700 |
| P1—C3 | 1.936 (15) | C10—H10A | 0.9600 |
| P2—C9 | 1.817 (7) | C10—H10B | 0.9600 |
| P2—C11 | 1.822 (6) | C10—H10C | 0.9600 |
| P2—C4 | 1.844 (16) | C11—C12 | 1.512 (8) |
| P2—C2 | 1.874 (9) | C11—H11A | 0.9700 |
| P3—C16 | 1.815 (5) | C11—H11B | 0.9700 |
| P3—C14 | 1.840 (5) | C12—H12A | 0.9600 |
| P3—C13 | 1.844 (4) | C12—H12B | 0.9600 |
| N1—O1 | 1.208 (5) | C12—H12C | 0.9600 |
| C1—C2 | 1.506 (10) | C13—C13i | 1.535 (8) |
| C1—H1A | 0.9700 | C13—H13A | 0.9700 |
| C1—H1B | 0.9700 | C13—H13B | 0.9700 |
| C2—H2A | 0.9700 | C14—C15 | 1.516 (7) |
| C2—H2B | 0.9700 | C14—H14A | 0.9700 |
| C3—C4 | 1.511 (10) | C14—H14B | 0.9700 |
| C3—H3A | 0.9700 | C15—H15A | 0.9600 |
| C3—H3B | 0.9700 | C15—H15B | 0.9600 |
| C4—H4A | 0.9700 | C15—H15C | 0.9600 |
| C4—H4B | 0.9700 | C16—C17 | 1.514 (7) |
| C5—C6 | 1.450 (9) | C16—H16A | 0.9700 |
| C5—H5A | 0.9700 | C16—H16B | 0.9700 |
| C5—H5B | 0.9700 | C17—H17A | 0.9600 |
| C6—H6A | 0.9600 | C17—H17B | 0.9600 |
| C6—H6B | 0.9600 | C17—H17C | 0.9600 |
| N1—W1—Cl1 | 98.06 (14) | P1—C5—H5B | 107.7 |
| N1—W1—Cl2 | 99.08 (13) | H5A—C5—H5B | 107.1 |
| N1—W1—Cl3 | 177.72 (13) | C5—C6—H6A | 109.5 |
| Cl1—W1—Cl2 | 141.66 (4) | C5—C6—H6B | 109.5 |
| Cl2—W1—Cl3 | 82.27 (4) | H6A—C6—H6B | 109.5 |
| Cl1—W1—Cl3 | 81.87 (4) | C5—C6—H6C | 109.5 |
| N1—W1—P1 | 88.51 (14) | H6A—C6—H6C | 109.5 |
| Cl1—W1—P1 | 143.71 (4) | H6B—C6—H6C | 109.5 |
| Cl1—W1—P2 | 71.30 (5) | C8—C7—P1 | 116.2 (4) |
| Cl1—W1—P3 | 73.09 (4) | C8—C7—H7A | 108.2 |
| Cl2—W1—P1 | 70.77 (4) | P1—C7—H7A | 108.2 |
| Cl2—W1—P3 | 73.54 (4) | C8—C7—H7B | 108.2 |
| Cl3—W1—P1 | 90.21 (4) | P1—C7—H7B | 108.2 |
| N1—W1—P2 | 91.41 (13) | H7A—C7—H7B | 107.4 |
| Cl2—W1—P2 | 141.78 (5) | C7—C8—H8A | 109.5 |
| Cl3—W1—P2 | 86.41 (5) | C7—C8—H8B | 109.5 |
| P1—W1—P2 | 72.90 (5) | H8A—C8—H8B | 109.5 |
| N1—W1—P3 | 88.00 (13) | C7—C8—H8C | 109.5 |
| Cl3—W1—P3 | 94.16 (4) | H8A—C8—H8C | 109.5 |
| P1—W1—P3 | 143.07 (4) | H8B—C8—H8C | 109.5 |
| P2—W1—P3 | 143.92 (4) | C10—C9—P2 | 114.3 (6) |
| C7—P1—C1 | 111.4 (4) | C10—C9—H9A | 108.7 |
| C7—P1—C5 | 102.7 (3) | P2—C9—H9A | 108.7 |
| C1—P1—C5 | 96.5 (4) | C10—C9—H9B | 108.7 |
| C7—P1—C3 | 91.0 (5) | P2—C9—H9B | 108.7 |
| C5—P1—C3 | 117.8 (6) | H9A—C9—H9B | 107.6 |
| C7—P1—W1 | 115.9 (2) | C9—C10—H10A | 109.5 |
| C1—P1—W1 | 111.2 (3) | C9—C10—H10B | 109.5 |
| C5—P1—W1 | 117.3 (2) | H10A—C10—H10B | 109.5 |
| C3—P1—W1 | 109.1 (5) | C9—C10—H10C | 109.5 |
| C9—P2—C11 | 103.1 (3) | H10A—C10—H10C | 109.5 |
| C9—P2—C4 | 121.1 (6) | H10B—C10—H10C | 109.5 |
| C11—P2—C4 | 93.5 (5) | C12—C11—P2 | 114.9 (5) |
| C9—P2—C2 | 93.5 (4) | C12—C11—H11A | 108.5 |
| C11—P2—C2 | 110.1 (4) | P2—C11—H11A | 108.5 |
| C9—P2—W1 | 115.3 (2) | C12—C11—H11B | 108.5 |
| C11—P2—W1 | 117.4 (2) | P2—C11—H11B | 108.5 |
| C4—P2—W1 | 104.9 (5) | H11A—C11—H11B | 107.5 |
| C2—P2—W1 | 114.4 (3) | C11—C12—H12A | 109.5 |
| C16—P3—C14 | 103.1 (2) | C11—C12—H12B | 109.5 |
| C16—P3—C13 | 103.6 (2) | H12A—C12—H12B | 109.5 |
| C14—P3—C13 | 101.4 (2) | C11—C12—H12C | 109.5 |
| C16—P3—W1 | 110.08 (17) | H12A—C12—H12C | 109.5 |
| C14—P3—W1 | 119.35 (17) | H12B—C12—H12C | 109.5 |
| C13—P3—W1 | 117.34 (15) | C13i—C13—P3 | 114.4 (4) |
| O1—N1—W1 | 179.3 (4) | C13i—C13—H13A | 108.7 |
| C2—C1—P1 | 107.8 (7) | P3—C13—H13A | 108.7 |
| C2—C1—H1A | 110.1 | C13i—C13—H13B | 108.7 |
| P1—C1—H1A | 110.1 | P3—C13—H13B | 108.7 |
| C2—C1—H1B | 110.1 | H13A—C13—H13B | 107.6 |
| P1—C1—H1B | 110.1 | C15—C14—P3 | 115.7 (3) |
| H1A—C1—H1B | 108.5 | C15—C14—H14A | 108.3 |
| C1—C2—P2 | 110.7 (6) | P3—C14—H14A | 108.3 |
| C1—C2—H2A | 109.5 | C15—C14—H14B | 108.3 |
| P2—C2—H2A | 109.5 | P3—C14—H14B | 108.3 |
| C1—C2—H2B | 109.5 | H14A—C14—H14B | 107.4 |
| P2—C2—H2B | 109.5 | C14—C15—H15A | 109.5 |
| H2A—C2—H2B | 108.1 | C14—C15—H15B | 109.5 |
| C4—C3—P1 | 103.7 (10) | H15A—C15—H15B | 109.5 |
| C4—C3—H3A | 111.0 | C14—C15—H15C | 109.5 |
| P1—C3—H3A | 111.0 | H15A—C15—H15C | 109.5 |
| C4—C3—H3B | 111.0 | H15B—C15—H15C | 109.5 |
| P1—C3—H3B | 111.0 | C17—C16—P3 | 116.6 (4) |
| H3A—C3—H3B | 109.0 | C17—C16—H16A | 108.2 |
| C3—C4—P2 | 96.8 (11) | P3—C16—H16A | 108.2 |
| C3—C4—H4A | 112.4 | C17—C16—H16B | 108.2 |
| P2—C4—H4A | 112.4 | P3—C16—H16B | 108.2 |
| C3—C4—H4B | 112.4 | H16A—C16—H16B | 107.3 |
| P2—C4—H4B | 112.4 | C16—C17—H17A | 109.5 |
| H4A—C4—H4B | 110.0 | C16—C17—H17B | 109.5 |
| C6—C5—P1 | 118.6 (5) | H17A—C17—H17B | 109.5 |
| C6—C5—H5A | 107.7 | C16—C17—H17C | 109.5 |
| P1—C5—H5A | 107.7 | H17A—C17—H17C | 109.5 |
| C6—C5—H5B | 107.7 | H17B—C17—H17C | 109.5 |
| N1—W1—P1—C7 | −169.6 (3) | Cl2—W1—P3—C14 | −36.06 (18) |
| Cl2—W1—P1—C7 | −69.4 (3) | Cl1—W1—P3—C14 | 163.07 (18) |
| Cl1—W1—P1—C7 | 88.8 (3) | Cl3—W1—P3—C14 | −116.74 (18) |
| Cl3—W1—P1—C7 | 12.3 (3) | P1—W1—P3—C14 | −20.84 (19) |
| P2—W1—P1—C7 | 98.5 (3) | P2—W1—P3—C14 | 153.66 (18) |
| P3—W1—P1—C7 | −84.9 (3) | N1—W1—P3—C13 | −59.1 (2) |
| N1—W1—P1—C1 | 61.9 (4) | Cl2—W1—P3—C13 | −159.16 (18) |
| Cl2—W1—P1—C1 | 162.1 (4) | Cl1—W1—P3—C13 | 39.97 (17) |
| Cl1—W1—P1—C1 | −39.7 (4) | Cl3—W1—P3—C13 | 120.16 (18) |
| Cl3—W1—P1—C1 | −116.2 (4) | P1—W1—P3—C13 | −143.94 (18) |
| P2—W1—P1—C1 | −30.0 (4) | P2—W1—P3—C13 | 30.6 (2) |
| P3—W1—P1—C1 | 146.6 (4) | C7—P1—C1—C2 | −77.2 (8) |
| N1—W1—P1—C5 | −47.8 (3) | C5—P1—C1—C2 | 176.4 (7) |
| Cl2—W1—P1—C5 | 52.4 (3) | C3—P1—C1—C2 | −36.6 (10) |
| Cl1—W1—P1—C5 | −149.4 (3) | W1—P1—C1—C2 | 53.7 (8) |
| Cl3—W1—P1—C5 | 134.1 (3) | P1—C1—C2—P2 | −45.4 (9) |
| P2—W1—P1—C5 | −139.7 (3) | C9—P2—C2—C1 | 140.7 (8) |
| P3—W1—P1—C5 | 36.9 (3) | C11—P2—C2—C1 | −113.9 (7) |
| N1—W1—P1—C3 | 89.5 (5) | C4—P2—C2—C1 | −55.6 (10) |
| Cl2—W1—P1—C3 | −170.3 (5) | W1—P2—C2—C1 | 20.8 (9) |
| Cl1—W1—P1—C3 | −12.1 (5) | C7—P1—C3—C4 | −158.7 (11) |
| Cl3—W1—P1—C3 | −88.6 (5) | C1—P1—C3—C4 | 58.6 (11) |
| P2—W1—P1—C3 | −2.4 (5) | C5—P1—C3—C4 | 96.3 (12) |
| P3—W1—P1—C3 | 174.2 (5) | W1—P1—C3—C4 | −40.8 (13) |
| N1—W1—P2—C9 | 172.8 (3) | P1—C3—C4—P2 | 69.6 (11) |
| Cl2—W1—P2—C9 | −80.6 (3) | C9—P2—C4—C3 | 58.9 (12) |
| Cl1—W1—P2—C9 | 74.7 (3) | C11—P2—C4—C3 | 166.5 (10) |
| Cl3—W1—P2—C9 | −7.9 (3) | C2—P2—C4—C3 | 39.8 (8) |
| P1—W1—P2—C9 | −99.2 (3) | W1—P2—C4—C3 | −73.8 (11) |
| P3—W1—P2—C9 | 84.2 (3) | C7—P1—C5—C6 | 170.9 (6) |
| N1—W1—P2—C11 | 50.8 (3) | C1—P1—C5—C6 | −75.4 (7) |
| Cl2—W1—P2—C11 | 157.5 (3) | C3—P1—C5—C6 | −91.1 (8) |
| Cl1—W1—P2—C11 | −47.2 (3) | W1—P1—C5—C6 | 42.5 (7) |
| Cl3—W1—P2—C11 | −129.8 (3) | C1—P1—C7—C8 | −43.2 (6) |
| P1—W1—P2—C11 | 138.8 (3) | C5—P1—C7—C8 | 59.1 (6) |
| P3—W1—P2—C11 | −37.7 (3) | C3—P1—C7—C8 | −59.7 (7) |
| N1—W1—P2—C4 | −51.3 (5) | W1—P1—C7—C8 | −171.6 (4) |
| Cl2—W1—P2—C4 | 55.3 (5) | C11—P2—C9—C10 | −55.8 (6) |
| Cl1—W1—P2—C4 | −149.4 (5) | C4—P2—C9—C10 | 46.6 (8) |
| Cl3—W1—P2—C4 | 128.0 (5) | C2—P2—C9—C10 | 55.7 (6) |
| P1—W1—P2—C4 | 36.7 (5) | W1—P2—C9—C10 | 174.8 (5) |
| P3—W1—P2—C4 | −139.9 (5) | C9—P2—C11—C12 | −174.5 (6) |
| N1—W1—P2—C2 | −80.5 (4) | C4—P2—C11—C12 | 62.4 (8) |
| Cl2—W1—P2—C2 | 26.2 (4) | C2—P2—C11—C12 | 86.8 (7) |
| Cl1—W1—P2—C2 | −178.5 (4) | W1—P2—C11—C12 | −46.4 (7) |
| Cl3—W1—P2—C2 | 98.9 (4) | C16—P3—C13—C13i | 167.4 (5) |
| P1—W1—P2—C2 | 7.5 (4) | C14—P3—C13—C13i | −85.9 (5) |
| P3—W1—P2—C2 | −169.0 (4) | W1—P3—C13—C13i | 45.9 (5) |
| N1—W1—P3—C16 | −177.1 (2) | C16—P3—C14—C15 | −172.3 (4) |
| Cl2—W1—P3—C16 | 82.81 (18) | C13—P3—C14—C15 | 80.6 (4) |
| Cl1—W1—P3—C16 | −78.06 (18) | W1—P3—C14—C15 | −50.0 (4) |
| Cl3—W1—P3—C16 | 2.13 (18) | C14—P3—C16—C17 | −58.1 (5) |
| P1—W1—P3—C16 | 98.03 (19) | C13—P3—C16—C17 | 47.3 (5) |
| P2—W1—P3—C16 | −87.5 (2) | W1—P3—C16—C17 | 173.5 (4) |
| N1—W1—P3—C14 | 64.0 (2) |
| H··· | ||||
| C5—H5B···Cl2 | 0.97 | 2.81 | 3.196 (7) | 105 |
| C11—H11A···Cl1 | 0.97 | 2.71 | 3.129 (7) | 107 |
| C13—H13B···Cl1 | 0.97 | 2.75 | 3.132 (5) | 104 |
| C14—H14A···Cl2 | 0.97 | 2.76 | 3.150 (5) | 105 |
| C13—H13A···Cl1i | 0.97 | 2.80 | 3.425 (5) | 123 |
| C10—H10A···Cl3ii | 0.96 | 2.81 | 3.726 (7) | 161 |
| C2—H2A···O1iii | 0.97 | 2.65 | 3.579 (10) | 161 |
| C4—H4B···O1iii | 0.97 | 2.56 | 3.470 (15) | 156 |
| W1—P1 | 2.5598 (13) |
| W1—P2 | 2.5675 (14) |
| W1—P3 | 2.6051 (12) |
| W1—Cl1 | 2.4750 (12) |
| W1—Cl2 | 2.4703 (11) |
| W1—Cl3 | 2.4905 (11) |
| W1—N1 | 1.783 (4) |
| N1—W1—Cl1 | 98.06 (14) |
| N1—W1—Cl2 | 99.08 (13) |
| N1—W1—Cl3 | 177.72 (13) |
| Cl1—W1—Cl2 | 141.66 (4) |
| Cl2—W1—Cl3 | 82.27 (4) |
| Cl1—W1—Cl3 | 81.87 (4) |
| Cl1—W1—P2 | 71.30 (5) |
| Cl1—W1—P3 | 73.09 (4) |
| Cl2—W1—P1 | 70.77 (4) |
| Cl2—W1—P3 | 73.54 (4) |
| Cl3—W1—P1 | 90.21 (4) |
| P1—W1—P2 | 72.90 (5) |
Symmetry code: (i) .
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C5—H5 | 0.97 | 2.81 | 3.196 (7) | 105 |
| C11—H11 | 0.97 | 2.71 | 3.129 (7) | 107 |
| C13—H13 | 0.97 | 2.75 | 3.132 (5) | 104 |
| C14—H14 | 0.97 | 2.76 | 3.150 (5) | 105 |
| C13—H13 | 0.97 | 2.80 | 3.425 (5) | 123 |
| C10—H10 | 0.96 | 2.81 | 3.726 (7) | 161 |
| C2—H2 | 0.97 | 2.65 | 3.579 (10) | 161 |
| C4—H4 | 0.97 | 2.56 | 3.470 (15) | 156 |
Symmetry codes: (i) ; (ii) ; (iii) .