| Literature DB >> 22969506 |
Reinout Meijboom1, Leo Kirsten, Thapelo Mbhele.
Abstract
The title compound, [PtCl(2)(C(18)H(12)Cl(3)P)(2)]·C(2)H(3)N, packs as monomeric units with a square-planar geometry around the Pt(II) atom. The two tris-(4-chloro-phen-yl)phosphane ligands are coordinated in a cis orientation, with P-Pt-P and Cl-Pt-Cl angles of 99.36 (2) and 88.02 (2)°, respectively. In the crystal, C-H⋯N inter-actions are observed between the phenyl rings and the acetonitrile solvent mol-ecules.Entities:
Year: 2012 PMID: 22969506 PMCID: PMC3435633 DOI: 10.1107/S1600536812037166
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [PtCl2(C18H12Cl3P)2]·C2H3N | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 9894 reflections |
| θ = 2.5–28.3° | |
| µ = 4.34 mm−1 | |
| β = 120.694 (2)° | Plate, colourless |
| 0.45 × 0.12 × 0.08 mm | |
| Bruker X8 APEXII 4K KappaCCD diffractometer | 9570 independent reflections |
| Radiation source: fine-focus sealed tube | 8248 reflections with |
| Graphite monochromator | |
| φ and ω scans | θmax = 28.4°, θmin = 1.7° |
| Absorption correction: multi-scan ( | |
| 61516 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 | |
| 9570 reflections | (Δ/σ)max = 0.003 |
| 452 parameters | Δρmax = 1.05 e Å−3 |
| 0 restraints | Δρmin = −0.82 e Å−3 |
| Experimental. The intensity data was collected on a Bruker X8 Apex II 4 K Kappa CCD diffractometer using an exposure time of 20 s/frame. A collection frame width of 0.5 ° covering up to θ = 28.4° resulted in 99% completeness accomplished. |
| Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
| Refinement. Refinement of |
| Pt1 | 0.585232 (9) | 0.825075 (7) | 0.384838 (5) | 0.01073 (3) | |
| P1 | 0.67506 (6) | 0.82097 (5) | 0.49834 (3) | 0.01152 (12) | |
| P2 | 0.59721 (6) | 0.67465 (5) | 0.36454 (3) | 0.01171 (12) | |
| Cl1 | 0.48595 (6) | 0.83719 (5) | 0.26666 (3) | 0.01794 (13) | |
| Cl2 | 0.55243 (6) | 0.98251 (5) | 0.38877 (3) | 0.01816 (13) | |
| Cl3 | 0.86117 (7) | 1.19197 (5) | 0.66505 (4) | 0.02474 (15) | |
| Cl4 | 1.17326 (7) | 0.63784 (7) | 0.66162 (4) | 0.0355 (2) | |
| Cl5 | 0.32156 (6) | 0.68604 (5) | 0.58652 (3) | 0.02180 (15) | |
| Cl6 | 0.89015 (7) | 0.41498 (6) | 0.61659 (4) | 0.02883 (17) | |
| Cl7 | 0.89339 (6) | 0.61938 (6) | 0.22381 (3) | 0.02344 (15) | |
| Cl8 | 0.12024 (7) | 0.45956 (6) | 0.24527 (4) | 0.02725 (16) | |
| C11 | 0.7229 (2) | 0.93258 (19) | 0.54104 (12) | 0.0137 (5) | |
| C12 | 0.6572 (2) | 0.97964 (19) | 0.56300 (13) | 0.0159 (5) | |
| H12 | 0.5848 | 0.9568 | 0.5525 | 0.019* | |
| C13 | 0.6988 (3) | 1.0603 (2) | 0.60045 (13) | 0.0179 (6) | |
| H13 | 0.6558 | 1.0907 | 0.6161 | 0.021* | |
| C14 | 0.8044 (3) | 1.09449 (19) | 0.61390 (13) | 0.0181 (6) | |
| C15 | 0.8684 (3) | 1.0529 (2) | 0.58937 (14) | 0.0192 (6) | |
| H15 | 0.9375 | 1.0791 | 0.5968 | 0.023* | |
| C16 | 0.8277 (2) | 0.9711 (2) | 0.55335 (13) | 0.0169 (5) | |
| H16 | 0.8707 | 0.9417 | 0.5373 | 0.020* | |
| C21 | 0.8113 (2) | 0.75688 (19) | 0.54211 (13) | 0.0138 (5) | |
| C22 | 0.8897 (2) | 0.76648 (19) | 0.51909 (13) | 0.0164 (5) | |
| H22 | 0.8670 | 0.7981 | 0.4791 | 0.020* | |
| C23 | 1.0005 (3) | 0.7295 (2) | 0.55510 (14) | 0.0198 (6) | |
| H23 | 1.0521 | 0.7361 | 0.5396 | 0.024* | |
| C24 | 1.0335 (3) | 0.6825 (2) | 0.61467 (14) | 0.0208 (6) | |
| C25 | 0.9574 (3) | 0.6697 (2) | 0.63771 (14) | 0.0198 (6) | |
| H25 | 0.9803 | 0.6367 | 0.6773 | 0.024* | |
| C26 | 0.8463 (2) | 0.70648 (19) | 0.60112 (13) | 0.0160 (5) | |
| H26 | 0.7943 | 0.6974 | 0.6161 | 0.019* | |
| C31 | 0.5777 (2) | 0.77817 (18) | 0.52576 (13) | 0.0133 (5) | |
| C32 | 0.4669 (2) | 0.74861 (19) | 0.47758 (13) | 0.0147 (5) | |
| H32 | 0.4456 | 0.7478 | 0.4323 | 0.018* | |
| C33 | 0.3873 (2) | 0.72032 (19) | 0.49570 (13) | 0.0159 (5) | |
| H33 | 0.3133 | 0.7006 | 0.4631 | 0.019* | |
| C34 | 0.4203 (2) | 0.72202 (19) | 0.56347 (13) | 0.0152 (5) | |
| C35 | 0.5291 (3) | 0.7526 (2) | 0.61265 (13) | 0.0171 (6) | |
| H35 | 0.5494 | 0.7541 | 0.6578 | 0.020* | |
| C36 | 0.6073 (2) | 0.78100 (19) | 0.59372 (13) | 0.0151 (5) | |
| H36 | 0.6805 | 0.8022 | 0.6264 | 0.018* | |
| C41 | 0.6804 (2) | 0.59576 (18) | 0.43507 (13) | 0.0138 (5) | |
| C42 | 0.6337 (2) | 0.56608 (19) | 0.47427 (13) | 0.0156 (5) | |
| H42 | 0.5589 | 0.5841 | 0.4625 | 0.019* | |
| C43 | 0.6973 (3) | 0.5104 (2) | 0.53008 (14) | 0.0186 (6) | |
| H43 | 0.6665 | 0.4919 | 0.5565 | 0.022* | |
| C44 | 0.8074 (3) | 0.4829 (2) | 0.54597 (13) | 0.0187 (6) | |
| C45 | 0.8551 (3) | 0.5093 (2) | 0.50748 (14) | 0.0193 (6) | |
| H45 | 0.9291 | 0.4894 | 0.5188 | 0.023* | |
| C46 | 0.7910 (2) | 0.5658 (2) | 0.45178 (13) | 0.0169 (5) | |
| H46 | 0.8220 | 0.5837 | 0.4254 | 0.020* | |
| C51 | 0.6685 (2) | 0.66152 (18) | 0.31555 (12) | 0.0134 (5) | |
| C52 | 0.6501 (3) | 0.58608 (19) | 0.27372 (13) | 0.0167 (5) | |
| H52 | 0.5916 | 0.5439 | 0.2650 | 0.020* | |
| C53 | 0.7187 (3) | 0.5735 (2) | 0.24493 (13) | 0.0191 (6) | |
| H53 | 0.7063 | 0.5234 | 0.2168 | 0.023* | |
| C54 | 0.8056 (2) | 0.6365 (2) | 0.25859 (13) | 0.0178 (6) | |
| C55 | 0.8237 (2) | 0.7135 (2) | 0.29826 (13) | 0.0174 (6) | |
| H55 | 0.8812 | 0.7561 | 0.3060 | 0.021* | |
| C56 | 0.7539 (3) | 0.7259 (2) | 0.32641 (13) | 0.0173 (6) | |
| H56 | 0.7643 | 0.7777 | 0.3528 | 0.021* | |
| C61 | 0.4568 (2) | 0.61567 (19) | 0.32269 (13) | 0.0143 (5) | |
| C62 | 0.4541 (3) | 0.5194 (2) | 0.31750 (13) | 0.0173 (5) | |
| H62 | 0.5228 | 0.4871 | 0.3314 | 0.021* | |
| C63 | 0.3497 (3) | 0.4716 (2) | 0.29174 (14) | 0.0191 (6) | |
| H63 | 0.3477 | 0.4078 | 0.2870 | 0.023* | |
| C64 | 0.2487 (2) | 0.5204 (2) | 0.27325 (14) | 0.0185 (6) | |
| C65 | 0.2489 (3) | 0.6155 (2) | 0.27701 (14) | 0.0198 (6) | |
| H65 | 0.1799 | 0.6473 | 0.2635 | 0.024* | |
| C66 | 0.3528 (2) | 0.66336 (19) | 0.30109 (13) | 0.0162 (5) | |
| H66 | 0.3532 | 0.7275 | 0.3028 | 0.019* | |
| N1 | 0.8740 (3) | 0.9362 (2) | 0.40990 (16) | 0.0389 (7) | |
| C1 | 0.8277 (3) | 1.0050 (3) | 0.39790 (17) | 0.0321 (8) | |
| C2 | 0.7684 (4) | 1.0938 (3) | 0.3826 (2) | 0.0440 (10) | |
| H2A | 0.6899 | 1.0868 | 0.3457 | 0.066* | |
| H2B | 0.8087 | 1.1373 | 0.3703 | 0.066* | |
| H2C | 0.7675 | 1.1159 | 0.4217 | 0.066* |
| Pt1 | 0.01178 (5) | 0.01036 (5) | 0.00961 (4) | 0.00060 (4) | 0.00513 (4) | 0.00080 (4) |
| P1 | 0.0109 (3) | 0.0134 (3) | 0.0096 (3) | −0.0004 (3) | 0.0047 (2) | −0.0002 (2) |
| P2 | 0.0129 (3) | 0.0107 (3) | 0.0107 (3) | 0.0003 (3) | 0.0054 (3) | 0.0004 (2) |
| Cl1 | 0.0215 (3) | 0.0192 (3) | 0.0107 (3) | 0.0019 (3) | 0.0065 (3) | 0.0031 (2) |
| Cl2 | 0.0228 (3) | 0.0122 (3) | 0.0180 (3) | 0.0039 (3) | 0.0094 (3) | 0.0012 (2) |
| Cl3 | 0.0278 (4) | 0.0162 (4) | 0.0257 (3) | −0.0043 (3) | 0.0104 (3) | −0.0080 (3) |
| Cl4 | 0.0181 (4) | 0.0547 (6) | 0.0332 (4) | 0.0156 (4) | 0.0128 (3) | 0.0206 (4) |
| Cl5 | 0.0199 (3) | 0.0288 (4) | 0.0209 (3) | −0.0030 (3) | 0.0135 (3) | 0.0013 (3) |
| Cl6 | 0.0252 (4) | 0.0309 (4) | 0.0222 (3) | 0.0049 (3) | 0.0062 (3) | 0.0138 (3) |
| Cl7 | 0.0183 (3) | 0.0373 (4) | 0.0163 (3) | 0.0059 (3) | 0.0100 (3) | 0.0005 (3) |
| Cl8 | 0.0200 (4) | 0.0290 (4) | 0.0355 (4) | −0.0098 (3) | 0.0162 (3) | −0.0115 (3) |
| C11 | 0.0142 (13) | 0.0126 (13) | 0.0113 (11) | −0.0004 (10) | 0.0044 (10) | 0.0003 (9) |
| C12 | 0.0138 (13) | 0.0143 (13) | 0.0173 (12) | 0.0002 (11) | 0.0062 (11) | 0.0019 (10) |
| C13 | 0.0206 (15) | 0.0149 (14) | 0.0176 (13) | 0.0030 (11) | 0.0093 (12) | 0.0013 (10) |
| C14 | 0.0212 (15) | 0.0136 (14) | 0.0132 (12) | −0.0020 (11) | 0.0044 (11) | −0.0013 (10) |
| C15 | 0.0173 (14) | 0.0198 (15) | 0.0195 (13) | −0.0045 (12) | 0.0088 (12) | −0.0025 (11) |
| C16 | 0.0185 (14) | 0.0180 (14) | 0.0169 (12) | −0.0017 (12) | 0.0109 (11) | −0.0024 (10) |
| C21 | 0.0129 (13) | 0.0137 (13) | 0.0132 (12) | −0.0012 (10) | 0.0054 (10) | −0.0018 (10) |
| C22 | 0.0191 (14) | 0.0164 (14) | 0.0142 (12) | 0.0004 (11) | 0.0088 (11) | 0.0002 (10) |
| C23 | 0.0165 (14) | 0.0244 (16) | 0.0199 (13) | 0.0004 (12) | 0.0104 (12) | 0.0014 (11) |
| C24 | 0.0143 (14) | 0.0225 (16) | 0.0203 (13) | 0.0025 (12) | 0.0049 (11) | 0.0029 (12) |
| C25 | 0.0196 (14) | 0.0219 (15) | 0.0154 (12) | 0.0029 (12) | 0.0071 (11) | 0.0039 (11) |
| C26 | 0.0163 (14) | 0.0167 (13) | 0.0149 (12) | −0.0009 (11) | 0.0080 (11) | −0.0004 (10) |
| C31 | 0.0153 (13) | 0.0119 (13) | 0.0123 (11) | 0.0015 (11) | 0.0069 (10) | 0.0010 (9) |
| C32 | 0.0165 (14) | 0.0157 (14) | 0.0104 (11) | 0.0011 (11) | 0.0059 (11) | 0.0006 (10) |
| C33 | 0.0132 (13) | 0.0155 (14) | 0.0154 (12) | −0.0003 (11) | 0.0047 (11) | 0.0016 (10) |
| C34 | 0.0174 (14) | 0.0113 (13) | 0.0201 (13) | −0.0005 (11) | 0.0120 (11) | 0.0017 (10) |
| C35 | 0.0211 (15) | 0.0175 (14) | 0.0133 (12) | 0.0014 (12) | 0.0092 (11) | 0.0008 (10) |
| C36 | 0.0146 (13) | 0.0163 (14) | 0.0122 (12) | −0.0012 (11) | 0.0052 (10) | −0.0014 (10) |
| C41 | 0.0169 (14) | 0.0100 (12) | 0.0139 (12) | −0.0003 (10) | 0.0074 (11) | −0.0003 (9) |
| C42 | 0.0156 (14) | 0.0121 (13) | 0.0186 (13) | 0.0007 (11) | 0.0084 (11) | 0.0000 (10) |
| C43 | 0.0229 (15) | 0.0169 (14) | 0.0176 (13) | −0.0033 (12) | 0.0115 (12) | 0.0011 (11) |
| C44 | 0.0196 (14) | 0.0150 (14) | 0.0154 (12) | 0.0020 (12) | 0.0045 (11) | 0.0054 (10) |
| C45 | 0.0147 (14) | 0.0195 (15) | 0.0196 (13) | 0.0023 (12) | 0.0056 (11) | 0.0041 (11) |
| C46 | 0.0166 (14) | 0.0170 (14) | 0.0165 (12) | −0.0001 (11) | 0.0080 (11) | 0.0009 (10) |
| C51 | 0.0146 (13) | 0.0130 (13) | 0.0116 (11) | 0.0027 (10) | 0.0061 (10) | 0.0012 (9) |
| C52 | 0.0190 (14) | 0.0160 (14) | 0.0139 (12) | −0.0002 (11) | 0.0075 (11) | −0.0008 (10) |
| C53 | 0.0238 (15) | 0.0180 (14) | 0.0132 (12) | 0.0026 (12) | 0.0078 (12) | −0.0037 (10) |
| C54 | 0.0176 (14) | 0.0236 (15) | 0.0110 (12) | 0.0069 (12) | 0.0065 (11) | 0.0035 (10) |
| C55 | 0.0148 (14) | 0.0186 (14) | 0.0176 (13) | −0.0005 (11) | 0.0073 (11) | 0.0018 (11) |
| C56 | 0.0222 (15) | 0.0142 (14) | 0.0162 (12) | −0.0013 (12) | 0.0104 (12) | −0.0021 (10) |
| C61 | 0.0138 (13) | 0.0154 (13) | 0.0119 (11) | −0.0016 (11) | 0.0054 (10) | −0.0019 (10) |
| C62 | 0.0175 (14) | 0.0158 (14) | 0.0179 (12) | 0.0012 (11) | 0.0086 (11) | −0.0007 (11) |
| C63 | 0.0209 (15) | 0.0136 (14) | 0.0212 (13) | −0.0026 (12) | 0.0097 (12) | −0.0031 (11) |
| C64 | 0.0170 (14) | 0.0222 (15) | 0.0178 (13) | −0.0070 (12) | 0.0100 (11) | −0.0059 (11) |
| C65 | 0.0148 (14) | 0.0218 (15) | 0.0215 (14) | 0.0024 (12) | 0.0083 (12) | −0.0038 (11) |
| C66 | 0.0160 (13) | 0.0146 (14) | 0.0159 (12) | 0.0016 (11) | 0.0065 (11) | −0.0011 (10) |
| N1 | 0.048 (2) | 0.0372 (19) | 0.0442 (18) | −0.0025 (16) | 0.0331 (17) | 0.0010 (14) |
| C1 | 0.043 (2) | 0.031 (2) | 0.0359 (18) | −0.0123 (17) | 0.0299 (17) | −0.0069 (15) |
| C2 | 0.060 (3) | 0.031 (2) | 0.056 (2) | −0.0096 (19) | 0.040 (2) | −0.0040 (17) |
| Pt1—P1 | 2.2502 (7) | C33—H33 | 0.9300 |
| Pt1—P2 | 2.2525 (7) | C34—C35 | 1.382 (4) |
| Pt1—Cl2 | 2.3342 (7) | C35—C36 | 1.385 (4) |
| Pt1—Cl1 | 2.3454 (7) | C35—H35 | 0.9300 |
| P1—C31 | 1.820 (3) | C36—H36 | 0.9300 |
| P1—C21 | 1.821 (3) | C41—C46 | 1.393 (4) |
| P1—C11 | 1.830 (3) | C41—C42 | 1.400 (4) |
| P2—C51 | 1.820 (3) | C42—C43 | 1.381 (4) |
| P2—C41 | 1.826 (3) | C42—H42 | 0.9300 |
| P2—C61 | 1.826 (3) | C43—C44 | 1.381 (4) |
| Cl3—C14 | 1.745 (3) | C43—H43 | 0.9300 |
| Cl4—C24 | 1.736 (3) | C44—C45 | 1.384 (4) |
| Cl5—C34 | 1.734 (3) | C45—C46 | 1.388 (4) |
| Cl6—C44 | 1.732 (3) | C45—H45 | 0.9300 |
| Cl7—C54 | 1.742 (3) | C46—H46 | 0.9300 |
| Cl8—C64 | 1.735 (3) | C51—C52 | 1.393 (4) |
| C11—C12 | 1.394 (4) | C51—C56 | 1.394 (4) |
| C11—C16 | 1.396 (4) | C52—C53 | 1.390 (4) |
| C12—C13 | 1.390 (4) | C52—H52 | 0.9300 |
| C12—H12 | 0.9300 | C53—C54 | 1.381 (4) |
| C13—C14 | 1.374 (4) | C53—H53 | 0.9300 |
| C13—H13 | 0.9300 | C54—C55 | 1.383 (4) |
| C14—C15 | 1.381 (4) | C55—C56 | 1.392 (4) |
| C15—C16 | 1.388 (4) | C55—H55 | 0.9300 |
| C15—H15 | 0.9300 | C56—H56 | 0.9300 |
| C16—H16 | 0.9300 | C61—C66 | 1.396 (4) |
| C21—C26 | 1.395 (4) | C61—C62 | 1.400 (4) |
| C21—C22 | 1.402 (4) | C62—C63 | 1.390 (4) |
| C22—C23 | 1.383 (4) | C62—H62 | 0.9300 |
| C22—H22 | 0.9300 | C63—C64 | 1.384 (4) |
| C23—C24 | 1.385 (4) | C63—H63 | 0.9300 |
| C23—H23 | 0.9300 | C64—C65 | 1.381 (4) |
| C24—C25 | 1.379 (4) | C65—C66 | 1.390 (4) |
| C25—C26 | 1.386 (4) | C65—H65 | 0.9300 |
| C25—H25 | 0.9300 | C66—H66 | 0.9300 |
| C26—H26 | 0.9300 | N1—C1 | 1.130 (5) |
| C31—C32 | 1.388 (4) | C1—C2 | 1.458 (6) |
| C31—C36 | 1.404 (3) | C2—H2A | 0.9600 |
| C32—C33 | 1.388 (4) | C2—H2B | 0.9600 |
| C32—H32 | 0.9300 | C2—H2C | 0.9600 |
| C33—C34 | 1.387 (4) | ||
| P1—Pt1—P2 | 99.36 (2) | C34—C35—H35 | 120.5 |
| P1—Pt1—Cl2 | 88.87 (2) | C36—C35—H35 | 120.5 |
| P2—Pt1—Cl2 | 171.49 (2) | C35—C36—C31 | 120.8 (3) |
| P1—Pt1—Cl1 | 176.65 (3) | C35—C36—H36 | 119.6 |
| P2—Pt1—Cl1 | 83.69 (2) | C31—C36—H36 | 119.6 |
| Cl2—Pt1—Cl1 | 88.02 (2) | C46—C41—C42 | 119.0 (2) |
| C31—P1—C21 | 108.88 (12) | C46—C41—P2 | 121.3 (2) |
| C31—P1—C11 | 103.33 (12) | C42—C41—P2 | 119.7 (2) |
| C21—P1—C11 | 100.23 (12) | C43—C42—C41 | 120.9 (3) |
| C31—P1—Pt1 | 111.04 (9) | C43—C42—H42 | 119.5 |
| C21—P1—Pt1 | 116.46 (8) | C41—C42—H42 | 119.5 |
| C11—P1—Pt1 | 115.65 (8) | C42—C43—C44 | 118.7 (3) |
| C51—P2—C41 | 102.20 (12) | C42—C43—H43 | 120.6 |
| C51—P2—C61 | 110.27 (12) | C44—C43—H43 | 120.6 |
| C41—P2—C61 | 99.83 (13) | C43—C44—C45 | 121.8 (3) |
| C51—P2—Pt1 | 110.17 (9) | C43—C44—Cl6 | 119.8 (2) |
| C41—P2—Pt1 | 119.83 (9) | C45—C44—Cl6 | 118.4 (2) |
| C61—P2—Pt1 | 113.57 (9) | C44—C45—C46 | 119.0 (3) |
| C12—C11—C16 | 118.9 (3) | C44—C45—H45 | 120.5 |
| C12—C11—P1 | 121.0 (2) | C46—C45—H45 | 120.5 |
| C16—C11—P1 | 120.1 (2) | C45—C46—C41 | 120.5 (3) |
| C13—C12—C11 | 120.7 (3) | C45—C46—H46 | 119.8 |
| C13—C12—H12 | 119.7 | C41—C46—H46 | 119.8 |
| C11—C12—H12 | 119.7 | C52—C51—C56 | 119.3 (2) |
| C14—C13—C12 | 118.9 (3) | C52—C51—P2 | 123.1 (2) |
| C14—C13—H13 | 120.6 | C56—C51—P2 | 117.26 (19) |
| C12—C13—H13 | 120.6 | C53—C52—C51 | 120.3 (3) |
| C13—C14—C15 | 122.0 (3) | C53—C52—H52 | 119.8 |
| C13—C14—Cl3 | 119.1 (2) | C51—C52—H52 | 119.8 |
| C15—C14—Cl3 | 118.9 (2) | C54—C53—C52 | 119.2 (3) |
| C14—C15—C16 | 118.8 (3) | C54—C53—H53 | 120.4 |
| C14—C15—H15 | 120.6 | C52—C53—H53 | 120.4 |
| C16—C15—H15 | 120.6 | C53—C54—C55 | 121.8 (3) |
| C15—C16—C11 | 120.6 (3) | C53—C54—Cl7 | 119.1 (2) |
| C15—C16—H16 | 119.7 | C55—C54—Cl7 | 119.1 (2) |
| C11—C16—H16 | 119.7 | C54—C55—C56 | 118.6 (3) |
| C26—C21—C22 | 118.4 (3) | C54—C55—H55 | 120.7 |
| C26—C21—P1 | 123.3 (2) | C56—C55—H55 | 120.7 |
| C22—C21—P1 | 118.0 (2) | C55—C56—C51 | 120.7 (3) |
| C23—C22—C21 | 120.9 (2) | C55—C56—H56 | 119.6 |
| C23—C22—H22 | 119.6 | C51—C56—H56 | 119.6 |
| C21—C22—H22 | 119.6 | C66—C61—C62 | 119.1 (3) |
| C22—C23—C24 | 119.1 (3) | C66—C61—P2 | 121.6 (2) |
| C22—C23—H23 | 120.4 | C62—C61—P2 | 119.1 (2) |
| C24—C23—H23 | 120.4 | C63—C62—C61 | 120.6 (3) |
| C25—C24—C23 | 121.5 (3) | C63—C62—H62 | 119.7 |
| C25—C24—Cl4 | 118.7 (2) | C61—C62—H62 | 119.7 |
| C23—C24—Cl4 | 119.8 (2) | C64—C63—C62 | 119.0 (3) |
| C24—C25—C26 | 119.1 (3) | C64—C63—H63 | 120.5 |
| C24—C25—H25 | 120.5 | C62—C63—H63 | 120.5 |
| C26—C25—H25 | 120.5 | C65—C64—C63 | 121.4 (3) |
| C25—C26—C21 | 121.1 (3) | C65—C64—Cl8 | 120.0 (2) |
| C25—C26—H26 | 119.5 | C63—C64—Cl8 | 118.6 (2) |
| C21—C26—H26 | 119.5 | C64—C65—C66 | 119.5 (3) |
| C32—C31—C36 | 118.5 (2) | C64—C65—H65 | 120.3 |
| C32—C31—P1 | 119.19 (19) | C66—C65—H65 | 120.3 |
| C36—C31—P1 | 122.1 (2) | C65—C66—C61 | 120.3 (3) |
| C33—C32—C31 | 121.3 (2) | C65—C66—H66 | 119.8 |
| C33—C32—H32 | 119.3 | C61—C66—H66 | 119.8 |
| C31—C32—H32 | 119.3 | N1—C1—C2 | 179.8 (7) |
| C34—C33—C32 | 118.7 (3) | C1—C2—H2A | 109.5 |
| C34—C33—H33 | 120.7 | C1—C2—H2B | 109.5 |
| C32—C33—H33 | 120.7 | H2A—C2—H2B | 109.5 |
| C35—C34—C33 | 121.6 (2) | C1—C2—H2C | 109.5 |
| C35—C34—Cl5 | 119.5 (2) | H2A—C2—H2C | 109.5 |
| C33—C34—Cl5 | 118.9 (2) | H2B—C2—H2C | 109.5 |
| C34—C35—C36 | 119.0 (2) | ||
| P2—Pt1—P1—C31 | −78.88 (10) | C33—C34—C35—C36 | −0.9 (4) |
| P2—Pt1—P1—C21 | 46.48 (10) | Cl5—C34—C35—C36 | 179.9 (2) |
| Cl2—Pt1—P1—C21 | −135.67 (10) | C34—C35—C36—C31 | −0.6 (4) |
| P2—Pt1—P1—C11 | 163.81 (10) | C32—C31—C36—C35 | 1.7 (4) |
| Cl2—Pt1—P1—C11 | −18.35 (10) | P1—C31—C36—C35 | 176.4 (2) |
| P1—Pt1—P2—C51 | −124.32 (9) | C51—P2—C41—C46 | 19.2 (3) |
| P1—Pt1—P2—C41 | −6.29 (11) | C61—P2—C41—C46 | 132.6 (2) |
| Cl1—Pt1—P2—C41 | 175.10 (11) | Pt1—P2—C41—C46 | −102.8 (2) |
| P1—Pt1—P2—C61 | 111.42 (9) | C51—P2—C41—C42 | −162.1 (2) |
| Cl1—Pt1—P2—C61 | −67.19 (9) | C61—P2—C41—C42 | −48.7 (2) |
| C31—P1—C11—C12 | −22.4 (2) | Pt1—P2—C41—C42 | 75.8 (2) |
| C21—P1—C11—C12 | −134.8 (2) | C46—C41—C42—C43 | 2.2 (4) |
| Pt1—P1—C11—C12 | 99.2 (2) | P2—C41—C42—C43 | −176.5 (2) |
| C31—P1—C11—C16 | 156.3 (2) | C41—C42—C43—C44 | −1.2 (4) |
| C21—P1—C11—C16 | 43.9 (2) | C42—C43—C44—C45 | −0.2 (4) |
| Pt1—P1—C11—C16 | −82.1 (2) | C42—C43—C44—Cl6 | 178.8 (2) |
| C16—C11—C12—C13 | −4.3 (4) | C43—C44—C45—C46 | 0.7 (4) |
| P1—C11—C12—C13 | 174.4 (2) | Cl6—C44—C45—C46 | −178.3 (2) |
| C11—C12—C13—C14 | 1.8 (4) | C44—C45—C46—C41 | 0.3 (4) |
| C12—C13—C14—C15 | 2.3 (4) | C42—C41—C46—C45 | −1.7 (4) |
| C12—C13—C14—Cl3 | −176.3 (2) | P2—C41—C46—C45 | 176.9 (2) |
| C13—C14—C15—C16 | −3.8 (4) | C41—P2—C51—C52 | 77.3 (2) |
| Cl3—C14—C15—C16 | 174.8 (2) | C61—P2—C51—C52 | −28.2 (3) |
| C14—C15—C16—C11 | 1.2 (4) | Pt1—P2—C51—C52 | −154.3 (2) |
| C12—C11—C16—C15 | 2.7 (4) | C41—P2—C51—C56 | −96.1 (2) |
| P1—C11—C16—C15 | −176.0 (2) | C61—P2—C51—C56 | 158.5 (2) |
| C31—P1—C21—C26 | −18.6 (3) | Pt1—P2—C51—C56 | 32.3 (2) |
| C11—P1—C21—C26 | 89.4 (2) | C56—C51—C52—C53 | 2.1 (4) |
| Pt1—P1—C21—C26 | −145.1 (2) | P2—C51—C52—C53 | −171.1 (2) |
| C31—P1—C21—C22 | 168.0 (2) | C51—C52—C53—C54 | 0.3 (4) |
| C11—P1—C21—C22 | −84.0 (2) | C52—C53—C54—C55 | −2.3 (4) |
| Pt1—P1—C21—C22 | 41.6 (2) | C52—C53—C54—Cl7 | 178.7 (2) |
| C26—C21—C22—C23 | −2.1 (4) | C53—C54—C55—C56 | 1.7 (4) |
| P1—C21—C22—C23 | 171.6 (2) | Cl7—C54—C55—C56 | −179.3 (2) |
| C21—C22—C23—C24 | 0.0 (4) | C54—C55—C56—C51 | 0.8 (4) |
| C22—C23—C24—C25 | 1.8 (5) | C52—C51—C56—C55 | −2.7 (4) |
| C22—C23—C24—Cl4 | −178.6 (2) | P2—C51—C56—C55 | 170.9 (2) |
| C23—C24—C25—C26 | −1.5 (5) | C51—P2—C61—C66 | −119.2 (2) |
| Cl4—C24—C25—C26 | 178.9 (2) | C41—P2—C61—C66 | 133.8 (2) |
| C24—C25—C26—C21 | −0.7 (4) | Pt1—P2—C61—C66 | 5.0 (2) |
| C22—C21—C26—C25 | 2.5 (4) | C51—P2—C61—C62 | 66.5 (2) |
| P1—C21—C26—C25 | −170.9 (2) | C41—P2—C61—C62 | −40.5 (2) |
| C21—P1—C31—C32 | −125.8 (2) | Pt1—P2—C61—C62 | −169.33 (18) |
| C11—P1—C31—C32 | 128.3 (2) | C66—C61—C62—C63 | −0.6 (4) |
| Pt1—P1—C31—C32 | 3.7 (2) | P2—C61—C62—C63 | 173.9 (2) |
| C21—P1—C31—C36 | 59.5 (3) | C61—C62—C63—C64 | −2.0 (4) |
| C11—P1—C31—C36 | −46.4 (3) | C62—C63—C64—C65 | 2.9 (4) |
| Pt1—P1—C31—C36 | −171.0 (2) | C62—C63—C64—Cl8 | −176.7 (2) |
| C36—C31—C32—C33 | −1.4 (4) | C63—C64—C65—C66 | −1.3 (4) |
| P1—C31—C32—C33 | −176.3 (2) | Cl8—C64—C65—C66 | 178.4 (2) |
| C31—C32—C33—C34 | 0.0 (4) | C64—C65—C66—C61 | −1.4 (4) |
| C32—C33—C34—C35 | 1.2 (4) | C62—C61—C66—C65 | 2.3 (4) |
| C32—C33—C34—Cl5 | −179.6 (2) | P2—C61—C66—C65 | −172.0 (2) |
| H··· | ||||
| C15—H15···N1i | 0.93 | 2.61 | 3.437 (6) | 148 |
| C22—H22···N1 | 0.93 | 2.59 | 3.445 (4) | 153 |
| C56—H56···N1 | 0.93 | 2.68 | 3.523 (4) | 151 |
Selected bond lengths (Å)
| Pt1—P1 | 2.2502 (7) |
| Pt1—P2 | 2.2525 (7) |
| Pt1—Cl2 | 2.3342 (7) |
| Pt1—Cl1 | 2.3454 (7) |
Hydrogen-bond geometry (Å, °)
|
|
| H⋯ |
|
|
|---|---|---|---|---|
| C15—H15⋯N1i | 0.93 | 2.61 | 3.437 (6) | 148 |
| C22—H22⋯N1 | 0.93 | 2.59 | 3.445 (4) | 153 |
| C56—H56⋯N1 | 0.93 | 2.68 | 3.523 (4) | 151 |
Symmetry code: (i) .