| Literature DB >> 21588214 |
Ilana Engelbrecht1, Hendrik G Visser, Andreas Roodt.
Abstract
In the title compound, [Pt(C(30)H(31)NP(2))(2)](PF(6))(2)·2CH(2)Cl(2), the four-coordinated Pt(II) atom, situated on an inversion centre, exhibits a highly distorted square-planar geometry illustrated by the P-Pt-P bite angle of 70.76 (3)°. The cyclo-hexyl ring and one of the phenyl rings display 0.630 (7):0.37 (7) and 0.60 (2):0.40 (2) positional disorder, respectively. The dichloro-methane solvent mol-ecule displays 0.526 (4):0.474 (4) positional disorder. C-H⋯F hydrogen bonds stabilize the crystal packing.Entities:
Year: 2010 PMID: 21588214 PMCID: PMC3007244 DOI: 10.1107/S1600536810028795
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Pt(C30H31NP2)2](PF6)2·2CH2Cl2 | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 9230 reflections |
| θ = 2.8–28.2° | |
| µ = 2.59 mm−1 | |
| β = 123.333 (5)° | Cuboid, colourless |
| 0.32 × 0.29 × 0.14 mm | |
| Bruker X8 APEXII KappaCCD diffractometer | 7899 independent reflections |
| Radiation source: fine-focus sealed tube | 6367 reflections with |
| graphite | |
| ω and φ scans | θmax = 28.4°, θmin = 4.2° |
| Absorption correction: multi-scan ( | |
| 57085 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 | |
| 7899 reflections | (Δ/σ)max = 0.003 |
| 503 parameters | Δρmax = 0.72 e Å−3 |
| 18 restraints | Δρmin = −0.99 e Å−3 |
| Experimental. The intensity data was collected on a Bruker X8 ApexII 4 K Kappa CCD diffractometer using an exposure time of 5 s/frame. A total of 1847 frames were collected with a frame width of 0.5° covering up to θ = 28.36° with 99.1% completeness accomplished. |
| Occ. (<1) | |||||
| C1A | 0.7123 (8) | 0.5220 (6) | 0.8424 (9) | 0.0219 (18) | 0.630 (7) |
| H1A | 0.6699 | 0.5599 | 0.8562 | 0.026* | 0.630 (7) |
| C2A | 0.8441 (5) | 0.5445 (3) | 0.8991 (3) | 0.0299 (14) | 0.630 (7) |
| H2A1 | 0.8889 | 0.509 | 0.8856 | 0.036* | 0.630 (7) |
| H2A2 | 0.8497 | 0.5911 | 0.8715 | 0.036* | 0.630 (7) |
| C3A | 0.8998 (7) | 0.5504 (4) | 1.0172 (5) | 0.0391 (16) | 0.630 (7) |
| H3A1 | 0.861 | 0.59 | 1.0308 | 0.047* | 0.630 (7) |
| H3A2 | 0.9861 | 0.5618 | 1.0529 | 0.047* | 0.630 (7) |
| C4A | 0.8855 (6) | 0.4809 (3) | 1.0631 (4) | 0.0405 (17) | 0.630 (7) |
| H4A1 | 0.9324 | 0.4426 | 1.0572 | 0.049* | 0.630 (7) |
| H4A2 | 0.9178 | 0.4879 | 1.1385 | 0.049* | 0.630 (7) |
| C5A | 0.7558 (9) | 0.4589 (5) | 1.0064 (8) | 0.036 (2) | 0.630 (7) |
| H5A1 | 0.7105 | 0.494 | 1.02 | 0.043* | 0.630 (7) |
| H5A2 | 0.7496 | 0.4119 | 1.0327 | 0.043* | 0.630 (7) |
| C6A | 0.7028 (19) | 0.4544 (9) | 0.8898 (17) | 0.0228 (17) | 0.630 (7) |
| H6A1 | 0.7439 | 0.4159 | 0.877 | 0.027* | 0.630 (7) |
| H6A2 | 0.6172 | 0.4412 | 0.8536 | 0.027* | 0.630 (7) |
| C1B | 0.7520 (13) | 0.5190 (12) | 0.8490 (17) | 0.024 (3) | 0.370 (7) |
| H1B | 0.831 | 0.5048 | 0.8615 | 0.029* | 0.370 (7) |
| C2B | 0.7677 (8) | 0.5875 (5) | 0.9006 (6) | 0.028 (2) | 0.370 (7) |
| H2B1 | 0.6897 | 0.6044 | 0.8862 | 0.034* | 0.370 (7) |
| H2B2 | 0.798 | 0.6234 | 0.873 | 0.034* | 0.370 (7) |
| C3B | 0.8569 (9) | 0.5787 (6) | 1.0188 (7) | 0.029 (2) | 0.370 (7) |
| H3B1 | 0.9367 | 0.5673 | 1.0325 | 0.035* | 0.370 (7) |
| H3B2 | 0.8637 | 0.6245 | 1.0539 | 0.035* | 0.370 (7) |
| C4B | 0.8217 (10) | 0.5209 (6) | 1.0662 (7) | 0.040 (3) | 0.370 (7) |
| C5B | 0.7999 (16) | 0.4511 (10) | 1.0077 (15) | 0.038 (4) | 0.370 (7) |
| H5B1 | 0.773 | 0.4151 | 1.0379 | 0.045* | 0.370 (7) |
| H5B2 | 0.8771 | 0.4344 | 1.0202 | 0.045* | 0.370 (7) |
| C6B | 0.705 (4) | 0.455 (2) | 0.886 (3) | 0.040 (3) | 0.370 (7) |
| H6B1 | 0.624 | 0.4643 | 0.8699 | 0.048* | 0.370 (7) |
| H6B2 | 0.7037 | 0.4094 | 0.8515 | 0.048* | 0.370 (7) |
| C11A | 0.509 (3) | 0.6467 (9) | 0.648 (2) | 0.0207 (12) | 0.60 (2) |
| C16A | 0.3952 (15) | 0.6778 (12) | 0.594 (2) | 0.0273 (8) | 0.60 (2) |
| H16A | 0.3261 | 0.6484 | 0.5654 | 0.033* | 0.60 (2) |
| C15A | 0.3821 (12) | 0.7511 (12) | 0.5829 (14) | 0.030 (3) | 0.60 (2) |
| H15A | 0.3045 | 0.7719 | 0.5443 | 0.035* | 0.60 (2) |
| C14A | 0.4835 (9) | 0.7935 (5) | 0.6283 (11) | 0.040 (2) | 0.60 (2) |
| H14A | 0.4757 | 0.8439 | 0.6231 | 0.048* | 0.60 (2) |
| C13A | 0.5958 (7) | 0.7629 (4) | 0.6811 (13) | 0.048 (4) | 0.60 (2) |
| H13A | 0.6649 | 0.7925 | 0.7121 | 0.058* | 0.60 (2) |
| C12A | 0.6090 (9) | 0.6895 (5) | 0.6894 (11) | 0.036 (2) | 0.60 (2) |
| H12A | 0.6866 | 0.6687 | 0.7233 | 0.044* | 0.60 (2) |
| C11B | 0.506 (5) | 0.6450 (13) | 0.655 (3) | 0.0207 (12) | 0.40 (2) |
| C12B | 0.6086 (14) | 0.6845 (7) | 0.7260 (12) | 0.022 (2) | 0.40 (2) |
| H12B | 0.6837 | 0.6611 | 0.7682 | 0.027* | 0.40 (2) |
| C13B | 0.6009 (9) | 0.7572 (5) | 0.7357 (13) | 0.030 (3) | 0.40 (2) |
| H13B | 0.67 | 0.7839 | 0.7849 | 0.036* | 0.40 (2) |
| C14B | 0.4914 (12) | 0.7906 (6) | 0.6727 (14) | 0.028 (3) | 0.40 (2) |
| H14B | 0.4861 | 0.8408 | 0.6766 | 0.034* | 0.40 (2) |
| C15B | 0.390 (2) | 0.7519 (18) | 0.604 (2) | 0.030 (3) | 0.40 (2) |
| H15B | 0.3142 | 0.7751 | 0.5647 | 0.035* | 0.40 (2) |
| C16B | 0.398 (2) | 0.6792 (19) | 0.594 (3) | 0.0273 (8) | 0.40 (2) |
| H16B | 0.3287 | 0.653 | 0.5445 | 0.033* | 0.40 (2) |
| C21 | 0.4170 (3) | 0.51739 (15) | 0.6806 (2) | 0.0222 (6) | |
| C22 | 0.4104 (3) | 0.55086 (17) | 0.7594 (2) | 0.0279 (7) | |
| H22 | 0.4558 | 0.5927 | 0.7923 | 0.034* | |
| C23 | 0.3373 (3) | 0.52266 (19) | 0.7891 (3) | 0.0335 (7) | |
| H23 | 0.3336 | 0.5449 | 0.8432 | 0.04* | |
| C24 | 0.2697 (3) | 0.46216 (18) | 0.7400 (2) | 0.0312 (7) | |
| H24 | 0.2199 | 0.443 | 0.7608 | 0.037* | |
| C25 | 0.2743 (3) | 0.42946 (17) | 0.6607 (2) | 0.0276 (7) | |
| H25 | 0.2265 | 0.3886 | 0.6263 | 0.033* | |
| C26 | 0.3486 (3) | 0.45657 (16) | 0.6320 (2) | 0.0241 (6) | |
| H26 | 0.3532 | 0.4335 | 0.5788 | 0.029* | |
| C31 | 0.8129 (3) | 0.50637 (15) | 0.6510 (2) | 0.0208 (6) | |
| C32 | 0.8465 (3) | 0.57719 (16) | 0.6751 (2) | 0.0286 (7) | |
| H32 | 0.8087 | 0.6067 | 0.6993 | 0.034* | |
| C33 | 0.9353 (3) | 0.60518 (18) | 0.6641 (3) | 0.0377 (8) | |
| H33 | 0.9593 | 0.6535 | 0.6821 | 0.045* | |
| C34 | 0.9887 (3) | 0.56276 (18) | 0.6270 (3) | 0.0333 (7) | |
| H34 | 1.0486 | 0.5821 | 0.6184 | 0.04* | |
| C35 | 0.9553 (3) | 0.49219 (17) | 0.6021 (3) | 0.0300 (7) | |
| H35 | 0.9919 | 0.4633 | 0.5762 | 0.036* | |
| C36 | 0.8685 (3) | 0.46348 (16) | 0.6149 (2) | 0.0234 (6) | |
| H36 | 0.8469 | 0.4147 | 0.5992 | 0.028* | |
| C41 | 0.7127 (3) | 0.38095 (14) | 0.6872 (2) | 0.0215 (6) | |
| C42 | 0.8280 (3) | 0.35531 (16) | 0.7592 (2) | 0.0255 (6) | |
| H42 | 0.8952 | 0.3859 | 0.7847 | 0.031* | |
| C43 | 0.8445 (3) | 0.28564 (17) | 0.7933 (2) | 0.0317 (7) | |
| H43 | 0.923 | 0.2683 | 0.8424 | 0.038* | |
| C44 | 0.7477 (4) | 0.24134 (18) | 0.7563 (3) | 0.0406 (9) | |
| H44 | 0.7593 | 0.1935 | 0.7805 | 0.049* | |
| C45 | 0.6336 (4) | 0.26580 (19) | 0.6842 (3) | 0.0455 (9) | |
| H45 | 0.567 | 0.2346 | 0.6585 | 0.055* | |
| C46 | 0.6156 (3) | 0.33545 (16) | 0.6491 (3) | 0.0321 (7) | |
| H46 | 0.5369 | 0.3521 | 0.599 | 0.039* | |
| N1 | 0.6583 (2) | 0.52112 (12) | 0.72778 (17) | 0.0206 (5) | |
| F1 | 1.0498 (2) | 0.69802 (10) | 0.96793 (16) | 0.0490 (6) | |
| F2 | 0.8895 (2) | 0.71702 (11) | 0.80417 (17) | 0.0544 (6) | |
| F3 | 0.9056 (2) | 0.77212 (16) | 0.9418 (2) | 0.0720 (8) | |
| F4 | 0.9237 (2) | 0.83448 (11) | 0.82524 (17) | 0.0555 (6) | |
| F5 | 1.0843 (2) | 0.81596 (12) | 0.98976 (18) | 0.0632 (7) | |
| F6 | 1.0704 (2) | 0.76089 (16) | 0.8535 (2) | 0.0741 (8) | |
| P1 | 0.51549 (7) | 0.55043 (4) | 0.64387 (5) | 0.01807 (14) | |
| P2 | 0.68416 (6) | 0.47263 (4) | 0.64749 (5) | 0.01702 (14) | |
| P3 | 0.98835 (7) | 0.76603 (4) | 0.89695 (6) | 0.02531 (17) | |
| Pt1 | 0.5 | 0.5 | 0.5 | 0.01390 (5) | |
| Cl1A | 0.2941 (3) | 0.24968 (16) | 1.0253 (3) | 0.0898 (11) | 0.526 (4) |
| Cl2A | 0.4137 (3) | 0.36092 (12) | 0.98377 (18) | 0.0645 (8) | 0.526 (4) |
| C01A | 0.3384 (12) | 0.2783 (6) | 0.9426 (8) | 0.088 (4) | 0.526 (4) |
| H01A | 0.2669 | 0.283 | 0.8701 | 0.105* | 0.526 (4) |
| H01B | 0.3921 | 0.2422 | 0.9419 | 0.105* | 0.526 (4) |
| Cl1B | 0.3117 (2) | 0.20374 (13) | 1.00257 (18) | 0.0514 (8)* | 0.474 (4) |
| Cl2B | 0.3439 (3) | 0.35456 (12) | 0.9852 (2) | 0.0534 (7) | 0.474 (4) |
| C01B | 0.2399 (8) | 0.2844 (4) | 0.9415 (7) | 0.049 (2) | 0.474 (4) |
| H01C | 0.1982 | 0.2794 | 0.8644 | 0.058* | 0.474 (4) |
| H01D | 0.179 | 0.2956 | 0.9574 | 0.058* | 0.474 (4) |
| C1A | 0.023 (5) | 0.024 (3) | 0.010 (3) | −0.008 (4) | 0.004 (4) | −0.001 (2) |
| C2A | 0.028 (3) | 0.033 (3) | 0.014 (2) | −0.007 (2) | 0.002 (2) | 0.0017 (19) |
| C3A | 0.040 (4) | 0.041 (4) | 0.020 (3) | −0.004 (3) | 0.006 (3) | −0.005 (3) |
| C4A | 0.054 (4) | 0.040 (3) | 0.015 (2) | 0.007 (3) | 0.011 (3) | 0.005 (2) |
| C5A | 0.065 (7) | 0.030 (4) | 0.024 (3) | 0.000 (4) | 0.032 (5) | 0.002 (2) |
| C6A | 0.036 (4) | 0.021 (3) | 0.019 (4) | 0.001 (3) | 0.019 (3) | 0.003 (2) |
| C1B | 0.012 (8) | 0.039 (6) | 0.012 (5) | −0.002 (7) | 0.000 (7) | 0.003 (4) |
| C2B | 0.031 (5) | 0.035 (5) | 0.014 (4) | −0.005 (4) | 0.010 (4) | −0.003 (3) |
| C3B | 0.027 (5) | 0.044 (6) | 0.008 (4) | 0.002 (4) | 0.005 (4) | −0.004 (4) |
| C4B | 0.043 (6) | 0.056 (6) | 0.017 (4) | 0.002 (5) | 0.014 (4) | 0.004 (4) |
| C5B | 0.057 (11) | 0.042 (7) | 0.033 (6) | 0.008 (7) | 0.037 (8) | 0.008 (5) |
| C6B | 0.043 (6) | 0.056 (6) | 0.017 (4) | 0.002 (5) | 0.014 (4) | 0.004 (4) |
| C11A | 0.027 (2) | 0.0199 (15) | 0.019 (3) | −0.0022 (14) | 0.0149 (19) | −0.0038 (15) |
| C16A | 0.0252 (17) | 0.0286 (17) | 0.0296 (16) | −0.0017 (14) | 0.0161 (15) | −0.0051 (14) |
| C15A | 0.031 (2) | 0.0288 (18) | 0.030 (7) | 0.0092 (19) | 0.018 (3) | 0.002 (4) |
| C14A | 0.049 (4) | 0.022 (3) | 0.052 (6) | 0.007 (3) | 0.029 (5) | −0.001 (4) |
| C13A | 0.034 (4) | 0.025 (3) | 0.070 (9) | −0.006 (3) | 0.018 (4) | −0.012 (4) |
| C12A | 0.025 (3) | 0.025 (3) | 0.046 (6) | 0.000 (3) | 0.011 (4) | −0.010 (4) |
| C11B | 0.027 (2) | 0.0199 (15) | 0.019 (3) | −0.0022 (14) | 0.0149 (19) | −0.0038 (15) |
| C12B | 0.032 (5) | 0.017 (4) | 0.024 (6) | −0.001 (3) | 0.019 (5) | −0.003 (4) |
| C13B | 0.035 (5) | 0.023 (4) | 0.030 (7) | −0.006 (4) | 0.017 (5) | −0.012 (4) |
| C14B | 0.038 (6) | 0.016 (4) | 0.039 (8) | −0.001 (4) | 0.027 (6) | −0.006 (5) |
| C15B | 0.031 (2) | 0.0288 (18) | 0.030 (7) | 0.0092 (19) | 0.018 (3) | 0.002 (4) |
| C16B | 0.0252 (17) | 0.0286 (17) | 0.0296 (16) | −0.0017 (14) | 0.0161 (15) | −0.0051 (14) |
| C21 | 0.0253 (15) | 0.0255 (14) | 0.0212 (14) | 0.0019 (12) | 0.0163 (13) | 0.0016 (11) |
| C22 | 0.0345 (18) | 0.0308 (16) | 0.0248 (15) | −0.0004 (14) | 0.0203 (14) | −0.0038 (12) |
| C23 | 0.039 (2) | 0.0436 (18) | 0.0295 (17) | 0.0050 (16) | 0.0266 (16) | 0.0002 (14) |
| C24 | 0.0257 (17) | 0.042 (2) | 0.0318 (17) | 0.0063 (14) | 0.0198 (15) | 0.0111 (14) |
| C25 | 0.0208 (15) | 0.0318 (16) | 0.0275 (15) | −0.0008 (13) | 0.0116 (13) | 0.0047 (13) |
| C26 | 0.0255 (16) | 0.0252 (15) | 0.0227 (14) | 0.0006 (12) | 0.0140 (13) | 0.0008 (11) |
| C31 | 0.0173 (13) | 0.0249 (14) | 0.0163 (12) | −0.0023 (11) | 0.0067 (11) | 0.0010 (11) |
| C32 | 0.0370 (18) | 0.0249 (15) | 0.0320 (16) | −0.0060 (13) | 0.0241 (15) | −0.0056 (13) |
| C33 | 0.044 (2) | 0.0319 (17) | 0.045 (2) | −0.0157 (16) | 0.0294 (18) | −0.0077 (15) |
| C34 | 0.0286 (17) | 0.0397 (19) | 0.0355 (18) | −0.0063 (14) | 0.0201 (15) | 0.0035 (14) |
| C35 | 0.0228 (15) | 0.0404 (19) | 0.0280 (16) | 0.0037 (14) | 0.0147 (14) | 0.0039 (13) |
| C36 | 0.0191 (14) | 0.0239 (15) | 0.0234 (14) | 0.0027 (12) | 0.0092 (12) | 0.0015 (12) |
| C41 | 0.0284 (15) | 0.0186 (13) | 0.0186 (13) | 0.0023 (12) | 0.0137 (12) | 0.0007 (10) |
| C42 | 0.0322 (17) | 0.0258 (15) | 0.0198 (14) | 0.0026 (13) | 0.0152 (13) | 0.0017 (11) |
| C43 | 0.0397 (19) | 0.0331 (17) | 0.0240 (15) | 0.0123 (15) | 0.0186 (15) | 0.0094 (13) |
| C44 | 0.055 (2) | 0.0254 (17) | 0.045 (2) | 0.0091 (16) | 0.0297 (19) | 0.0127 (15) |
| C45 | 0.047 (2) | 0.0271 (18) | 0.056 (2) | −0.0065 (16) | 0.024 (2) | 0.0057 (16) |
| C46 | 0.0327 (18) | 0.0223 (15) | 0.0345 (17) | −0.0024 (13) | 0.0142 (15) | 0.0014 (13) |
| N1 | 0.0277 (13) | 0.0195 (11) | 0.0122 (11) | −0.0019 (10) | 0.0094 (10) | −0.0025 (9) |
| F1 | 0.0658 (15) | 0.0295 (10) | 0.0423 (12) | 0.0081 (10) | 0.0237 (11) | 0.0069 (9) |
| F2 | 0.0586 (15) | 0.0359 (11) | 0.0416 (12) | −0.0169 (10) | 0.0104 (11) | −0.0100 (9) |
| F3 | 0.0660 (17) | 0.098 (2) | 0.0795 (18) | 0.0130 (15) | 0.0571 (16) | −0.0007 (16) |
| F4 | 0.0587 (15) | 0.0308 (11) | 0.0434 (12) | 0.0029 (10) | 0.0068 (11) | 0.0053 (9) |
| F5 | 0.0654 (16) | 0.0408 (13) | 0.0424 (13) | −0.0176 (11) | 0.0036 (12) | −0.0055 (10) |
| F6 | 0.0680 (17) | 0.105 (2) | 0.0836 (19) | 0.0132 (16) | 0.0631 (16) | 0.0188 (16) |
| P1 | 0.0247 (4) | 0.0178 (3) | 0.0151 (3) | −0.0015 (3) | 0.0131 (3) | −0.0026 (3) |
| P2 | 0.0191 (4) | 0.0164 (3) | 0.0139 (3) | −0.0011 (3) | 0.0079 (3) | −0.0012 (3) |
| P3 | 0.0242 (4) | 0.0221 (4) | 0.0284 (4) | −0.0023 (3) | 0.0136 (3) | −0.0016 (3) |
| Pt1 | 0.01666 (8) | 0.01500 (7) | 0.01119 (7) | −0.00172 (6) | 0.00838 (6) | −0.00207 (5) |
| Cl1A | 0.129 (3) | 0.0727 (19) | 0.105 (2) | −0.0276 (17) | 0.087 (2) | −0.0308 (16) |
| Cl2A | 0.087 (2) | 0.0546 (13) | 0.0543 (13) | 0.0015 (13) | 0.0400 (14) | 0.0013 (10) |
| C01A | 0.122 (10) | 0.081 (7) | 0.066 (6) | −0.027 (7) | 0.055 (7) | −0.025 (5) |
| Cl2B | 0.0664 (18) | 0.0422 (12) | 0.0650 (15) | −0.0022 (11) | 0.0447 (14) | −0.0095 (10) |
| C01B | 0.048 (5) | 0.041 (5) | 0.041 (5) | 0.007 (4) | 0.014 (4) | 0.010 (4) |
| C1A—N1 | 1.480 (12) | C15B—H15B | 0.95 |
| C1A—C6A | 1.50 (2) | C16B—H16B | 0.95 |
| C1A—C2A | 1.533 (10) | C21—C26 | 1.393 (4) |
| C1A—H1A | 1.00 | C21—C22 | 1.400 (4) |
| C2A—C3A | 1.529 (7) | C21—P1 | 1.799 (3) |
| C2A—H2A1 | 0.99 | C22—C23 | 1.387 (4) |
| C2A—H2A2 | 0.99 | C22—H22 | 0.95 |
| C3A—C4A | 1.540 (9) | C23—C24 | 1.386 (5) |
| C3A—H3A1 | 0.99 | C23—H23 | 0.95 |
| C3A—H3A2 | 0.99 | C24—C25 | 1.386 (4) |
| C4A—C5A | 1.508 (12) | C24—H24 | 0.95 |
| C4A—H4A1 | 0.99 | C25—C26 | 1.384 (4) |
| C4A—H4A2 | 0.99 | C25—H25 | 0.95 |
| C5A—C6A | 1.51 (2) | C26—H26 | 0.95 |
| C5A—H5A1 | 0.99 | C31—C32 | 1.386 (4) |
| C5A—H5A2 | 0.99 | C31—C36 | 1.398 (4) |
| C6A—H6A1 | 0.99 | C31—P2 | 1.804 (3) |
| C6A—H6A2 | 0.99 | C32—C33 | 1.389 (4) |
| C1B—C2B | 1.46 (2) | C32—H32 | 0.95 |
| C1B—N1 | 1.56 (2) | C33—C34 | 1.381 (5) |
| C1B—C6B | 1.60 (5) | C33—H33 | 0.95 |
| C1B—H1B | 1.00 | C34—C35 | 1.382 (4) |
| C2B—C3B | 1.528 (11) | C34—H34 | 0.95 |
| C2B—H2B1 | 0.99 | C35—C36 | 1.385 (4) |
| C2B—H2B2 | 0.99 | C35—H35 | 0.95 |
| C3B—C4B | 1.514 (15) | C36—H36 | 0.95 |
| C3B—H3B1 | 0.99 | C41—C46 | 1.385 (4) |
| C3B—H3B2 | 0.99 | C41—C42 | 1.396 (4) |
| C4B—C5B | 1.52 (2) | C41—P2 | 1.794 (3) |
| C5B—C6B | 1.57 (5) | C42—C43 | 1.379 (4) |
| C5B—H5B1 | 0.99 | C42—H42 | 0.95 |
| C5B—H5B2 | 0.99 | C43—C44 | 1.370 (5) |
| C6B—H6B1 | 0.99 | C43—H43 | 0.95 |
| C6B—H6B2 | 0.99 | C44—C45 | 1.378 (5) |
| C11A—C12A | 1.38 (3) | C44—H44 | 0.95 |
| C11A—C16A | 1.40 (3) | C45—C46 | 1.382 (5) |
| C11A—P1 | 1.811 (16) | C45—H45 | 0.95 |
| C16A—C15A | 1.385 (15) | C46—H46 | 0.95 |
| C16A—H16A | 0.95 | N1—P1 | 1.701 (3) |
| C15A—C14A | 1.384 (15) | N1—P2 | 1.706 (2) |
| C15A—H15A | 0.95 | F1—P3 | 1.580 (2) |
| C14A—C13A | 1.378 (12) | F2—P3 | 1.593 (2) |
| C14A—H14A | 0.95 | F3—P3 | 1.591 (2) |
| C13A—C12A | 1.387 (12) | F4—P3 | 1.598 (2) |
| C13A—H13A | 0.95 | F5—P3 | 1.590 (2) |
| C12A—H12A | 0.95 | F6—P3 | 1.564 (2) |
| C11B—C16B | 1.37 (4) | Pt1—P1 | 2.2918 (9) |
| C11B—C12B | 1.40 (4) | Pt1—P2 | 2.2999 (9) |
| C11B—P1 | 1.79 (3) | Cl1A—C01A | 1.747 (11) |
| C12B—C13B | 1.383 (15) | Cl2A—C01A | 1.765 (11) |
| C12B—H12B | 0.95 | C01A—H01A | 0.99 |
| C13B—C14B | 1.381 (15) | C01A—H01B | 0.99 |
| C13B—H13B | 0.95 | Cl1B—C01B | 1.760 (8) |
| C14B—C15B | 1.38 (2) | Cl2B—C01B | 1.757 (9) |
| C14B—H14B | 0.95 | C01B—H01C | 0.99 |
| C15B—C16B | 1.39 (2) | C01B—H01D | 0.99 |
| N1—C1A—C6A | 116.4 (11) | C22—C21—P1 | 120.9 (2) |
| N1—C1A—C2A | 109.4 (7) | C23—C22—C21 | 119.7 (3) |
| C6A—C1A—C2A | 109.6 (11) | C23—C22—H22 | 120.1 |
| N1—C1A—H1A | 107 | C21—C22—H22 | 120.1 |
| C6A—C1A—H1A | 107 | C24—C23—C22 | 120.2 (3) |
| C2A—C1A—H1A | 107 | C24—C23—H23 | 119.9 |
| C3A—C2A—C1A | 110.4 (6) | C22—C23—H23 | 119.9 |
| C3A—C2A—H2A1 | 109.6 | C23—C24—C25 | 120.4 (3) |
| C1A—C2A—H2A1 | 109.6 | C23—C24—H24 | 119.8 |
| C3A—C2A—H2A2 | 109.6 | C25—C24—H24 | 119.8 |
| C1A—C2A—H2A2 | 109.6 | C26—C25—C24 | 119.8 (3) |
| H2A1—C2A—H2A2 | 108.1 | C26—C25—H25 | 120.1 |
| C2A—C3A—C4A | 111.9 (5) | C24—C25—H25 | 120.1 |
| C2A—C3A—H3A1 | 109.2 | C25—C26—C21 | 120.5 (3) |
| C4A—C3A—H3A1 | 109.2 | C25—C26—H26 | 119.8 |
| C2A—C3A—H3A2 | 109.2 | C21—C26—H26 | 119.8 |
| C4A—C3A—H3A2 | 109.2 | C32—C31—C36 | 119.4 (3) |
| H3A1—C3A—H3A2 | 107.9 | C32—C31—P2 | 120.6 (2) |
| C5A—C4A—C3A | 111.2 (6) | C36—C31—P2 | 119.4 (2) |
| C5A—C4A—H4A1 | 109.4 | C31—C32—C33 | 120.3 (3) |
| C3A—C4A—H4A1 | 109.4 | C31—C32—H32 | 119.8 |
| C5A—C4A—H4A2 | 109.4 | C33—C32—H32 | 119.8 |
| C3A—C4A—H4A2 | 109.4 | C34—C33—C32 | 119.9 (3) |
| H4A1—C4A—H4A2 | 108 | C34—C33—H33 | 120 |
| C4A—C5A—C6A | 109.7 (9) | C32—C33—H33 | 120 |
| C4A—C5A—H5A1 | 109.7 | C33—C34—C35 | 120.2 (3) |
| C6A—C5A—H5A1 | 109.7 | C33—C34—H34 | 119.9 |
| C4A—C5A—H5A2 | 109.7 | C35—C34—H34 | 119.9 |
| C6A—C5A—H5A2 | 109.7 | C34—C35—C36 | 120.2 (3) |
| H5A1—C5A—H5A2 | 108.2 | C34—C35—H35 | 119.9 |
| C1A—C6A—C5A | 114.3 (14) | C36—C35—H35 | 119.9 |
| C1A—C6A—H6A1 | 108.7 | C35—C36—C31 | 119.9 (3) |
| C5A—C6A—H6A1 | 108.7 | C35—C36—H36 | 120 |
| C1A—C6A—H6A2 | 108.7 | C31—C36—H36 | 120 |
| C5A—C6A—H6A2 | 108.7 | C46—C41—C42 | 119.4 (3) |
| H6A1—C6A—H6A2 | 107.6 | C46—C41—P2 | 118.3 (2) |
| C2B—C1B—N1 | 113.5 (14) | C42—C41—P2 | 122.2 (2) |
| C2B—C1B—C6B | 116 (2) | C43—C42—C41 | 120.1 (3) |
| N1—C1B—C6B | 103 (2) | C43—C42—H42 | 119.9 |
| C2B—C1B—H1B | 107.9 | C41—C42—H42 | 119.9 |
| N1—C1B—H1B | 107.9 | C44—C43—C42 | 120.0 (3) |
| C6B—C1B—H1B | 107.9 | C44—C43—H43 | 120 |
| C1B—C2B—C3B | 109.1 (11) | C42—C43—H43 | 120 |
| C1B—C2B—H2B1 | 109.9 | C43—C44—C45 | 120.3 (3) |
| C3B—C2B—H2B1 | 109.9 | C43—C44—H44 | 119.8 |
| C1B—C2B—H2B2 | 109.9 | C45—C44—H44 | 119.8 |
| C3B—C2B—H2B2 | 109.9 | C44—C45—C46 | 120.3 (3) |
| H2B1—C2B—H2B2 | 108.3 | C44—C45—H45 | 119.8 |
| C4B—C3B—C2B | 113.4 (8) | C46—C45—H45 | 119.8 |
| C4B—C3B—H3B1 | 108.9 | C45—C46—C41 | 119.8 (3) |
| C2B—C3B—H3B1 | 108.9 | C45—C46—H46 | 120.1 |
| C4B—C3B—H3B2 | 108.9 | C41—C46—H46 | 120.1 |
| C2B—C3B—H3B2 | 108.9 | C1A—N1—P1 | 120.1 (4) |
| H3B1—C3B—H3B2 | 107.7 | C1B—N1—P1 | 137.3 (6) |
| C3B—C4B—C5B | 110.2 (9) | C1A—N1—P2 | 134.0 (4) |
| C4B—C5B—C6B | 115.4 (19) | C1B—N1—P2 | 119.3 (7) |
| C4B—C5B—H5B1 | 108.4 | P1—N1—P2 | 102.58 (12) |
| C6B—C5B—H5B1 | 108.4 | N1—P1—C11B | 110.8 (17) |
| C4B—C5B—H5B2 | 108.4 | N1—P1—C21 | 111.32 (13) |
| C6B—C5B—H5B2 | 108.4 | C11B—P1—C21 | 102.4 (13) |
| H5B1—C5B—H5B2 | 107.5 | N1—P1—C11A | 110.5 (11) |
| C5B—C6B—C1B | 103 (3) | C21—P1—C11A | 106.0 (9) |
| C5B—C6B—H6B1 | 111.1 | N1—P1—Pt1 | 93.47 (8) |
| C1B—C6B—H6B1 | 111.1 | C11B—P1—Pt1 | 121.4 (10) |
| C5B—C6B—H6B2 | 111.1 | C21—P1—Pt1 | 117.31 (10) |
| C1B—C6B—H6B2 | 111.1 | C11A—P1—Pt1 | 117.7 (6) |
| H6B1—C6B—H6B2 | 109 | N1—P2—C41 | 110.98 (12) |
| C12A—C11A—C16A | 119.5 (11) | N1—P2—C31 | 110.86 (13) |
| C12A—C11A—P1 | 123 (2) | C41—P2—C31 | 107.74 (14) |
| C16A—C11A—P1 | 116.8 (19) | N1—P2—Pt1 | 93.08 (9) |
| C15A—C16A—C11A | 120.6 (15) | C41—P2—Pt1 | 117.31 (10) |
| C15A—C16A—H16A | 119.7 | C31—P2—Pt1 | 116.09 (10) |
| C11A—C16A—H16A | 119.7 | F6—P3—F1 | 91.14 (14) |
| C14A—C15A—C16A | 119.1 (13) | F6—P3—F5 | 90.24 (16) |
| C14A—C15A—H15A | 120.4 | F1—P3—F5 | 90.30 (12) |
| C16A—C15A—H15A | 120.4 | F6—P3—F3 | 179.34 (18) |
| C13A—C14A—C15A | 120.3 (9) | F1—P3—F3 | 89.15 (14) |
| C13A—C14A—H14A | 119.9 | F5—P3—F3 | 89.16 (16) |
| C15A—C14A—H14A | 119.9 | F6—P3—F2 | 91.09 (16) |
| C14A—C13A—C12A | 120.7 (8) | F1—P3—F2 | 90.39 (12) |
| C14A—C13A—H13A | 119.7 | F5—P3—F2 | 178.49 (15) |
| C12A—C13A—H13A | 119.7 | F3—P3—F2 | 89.51 (15) |
| C11A—C12A—C13A | 119.7 (12) | F6—P3—F4 | 90.00 (15) |
| C11A—C12A—H12A | 120.2 | F1—P3—F4 | 178.76 (14) |
| C13A—C12A—H12A | 120.2 | F5—P3—F4 | 90.20 (12) |
| C16B—C11B—C12B | 119.3 (16) | F3—P3—F4 | 89.72 (15) |
| C16B—C11B—P1 | 120 (3) | F2—P3—F4 | 89.08 (12) |
| C12B—C11B—P1 | 121 (3) | P1i—Pt1—P1 | 180.0000 (10) |
| C13B—C12B—C11B | 120.5 (18) | P1i—Pt1—P2i | 70.76 (3) |
| C13B—C12B—H12B | 119.7 | P1—Pt1—P2i | 109.24 (3) |
| C11B—C12B—H12B | 119.7 | P1i—Pt1—P2 | 109.24 (3) |
| C14B—C13B—C12B | 119.0 (10) | P1—Pt1—P2 | 70.76 (3) |
| C14B—C13B—H13B | 120.5 | P2i—Pt1—P2 | 180 |
| C12B—C13B—H13B | 120.5 | Cl1A—C01A—Cl2A | 111.5 (5) |
| C15B—C14B—C13B | 120.9 (14) | Cl1A—C01A—H01A | 109.3 |
| C15B—C14B—H14B | 119.5 | Cl2A—C01A—H01A | 109.3 |
| C13B—C14B—H14B | 119.5 | Cl1A—C01A—H01B | 109.3 |
| C14B—C15B—C16B | 120 (2) | Cl2A—C01A—H01B | 109.3 |
| C14B—C15B—H15B | 120.1 | H01A—C01A—H01B | 108 |
| C16B—C15B—H15B | 120.1 | Cl2B—C01B—Cl1B | 110.9 (5) |
| C11B—C16B—C15B | 120 (2) | Cl2B—C01B—H01C | 109.5 |
| C11B—C16B—H16B | 119.8 | Cl1B—C01B—H01C | 109.5 |
| C15B—C16B—H16B | 119.8 | Cl2B—C01B—H01D | 109.5 |
| C26—C21—C22 | 119.5 (3) | Cl1B—C01B—H01D | 109.5 |
| C26—C21—P1 | 119.6 (2) | H01C—C01B—H01D | 108.1 |
| N1—C1A—C2A—C3A | 176.4 (6) | C1A—N1—P1—C11B | 69.5 (12) |
| C6A—C1A—C2A—C3A | −54.8 (12) | C1B—N1—P1—C11B | 62.4 (16) |
| C1A—C2A—C3A—C4A | 55.2 (8) | P2—N1—P1—C11B | −128.4 (11) |
| C2A—C3A—C4A—C5A | −55.4 (8) | C1A—N1—P1—C21 | −43.8 (5) |
| C3A—C4A—C5A—C6A | 54.1 (10) | C1B—N1—P1—C21 | −50.9 (12) |
| N1—C1A—C6A—C5A | −178.1 (9) | P2—N1—P1—C21 | 118.30 (14) |
| C2A—C1A—C6A—C5A | 57.1 (15) | C1A—N1—P1—C11A | 73.7 (9) |
| C4A—C5A—C6A—C1A | −56.8 (15) | C1B—N1—P1—C11A | 66.6 (14) |
| N1—C1B—C2B—C3B | 177.7 (9) | P2—N1—P1—C11A | −124.2 (7) |
| C6B—C1B—C2B—C3B | 59 (2) | C1A—N1—P1—Pt1 | −165.0 (5) |
| C1B—C2B—C3B—C4B | −55.3 (12) | C1B—N1—P1—Pt1 | −172.1 (12) |
| C2B—C3B—C4B—C5B | 53.7 (13) | P2—N1—P1—Pt1 | −2.84 (11) |
| C3B—C4B—C5B—C6B | −55 (2) | C16B—C11B—P1—N1 | −179.4 (19) |
| C4B—C5B—C6B—C1B | 53 (3) | C12B—C11B—P1—N1 | −1(2) |
| C2B—C1B—C6B—C5B | −56 (3) | C16B—C11B—P1—C21 | −61 (2) |
| N1—C1B—C6B—C5B | 179.2 (18) | C12B—C11B—P1—C21 | 118 (2) |
| C12A—C11A—C16A—C15A | 0(2) | C16B—C11B—P1—Pt1 | 73 (2) |
| P1—C11A—C16A—C15A | −172.2 (17) | C12B—C11B—P1—Pt1 | −108.6 (18) |
| C11A—C16A—C15A—C14A | −2(2) | C26—C21—P1—N1 | −96.5 (3) |
| C16A—C15A—C14A—C13A | 2.3 (18) | C22—C21—P1—N1 | 81.8 (3) |
| C15A—C14A—C13A—C12A | 0.1 (16) | C26—C21—P1—C11B | 145.0 (15) |
| C16A—C11A—C12A—C13A | 3(2) | C22—C21—P1—C11B | −36.7 (15) |
| P1—C11A—C12A—C13A | 174.0 (9) | C26—C21—P1—C11A | 143.3 (10) |
| C14A—C13A—C12A—C11A | −2.6 (18) | C22—C21—P1—C11A | −38.4 (10) |
| C16B—C11B—C12B—C13B | 0(2) | C26—C21—P1—Pt1 | 9.5 (3) |
| P1—C11B—C12B—C13B | −178.7 (16) | C22—C21—P1—Pt1 | −172.2 (2) |
| C11B—C12B—C13B—C14B | −1.0 (14) | C12A—C11A—P1—N1 | 17.2 (18) |
| C12B—C13B—C14B—C15B | 3(2) | C16A—C11A—P1—N1 | −171.4 (12) |
| C13B—C14B—C15B—C16B | −4(3) | C12A—C11A—P1—C21 | 138.0 (15) |
| C12B—C11B—C16B—C15B | −1(3) | C16A—C11A—P1—C21 | −50.7 (13) |
| P1—C11B—C16B—C15B | 178 (3) | C12A—C11A—P1—Pt1 | −88.4 (18) |
| C14B—C15B—C16B—C11B | 3(4) | C16A—C11A—P1—Pt1 | 83.0 (13) |
| C26—C21—C22—C23 | 0.8 (5) | C1A—N1—P2—C41 | 40.3 (6) |
| P1—C21—C22—C23 | −177.4 (3) | C1B—N1—P2—C41 | 53.6 (9) |
| C21—C22—C23—C24 | −0.9 (5) | P1—N1—P2—C41 | −118.02 (14) |
| C22—C23—C24—C25 | −0.1 (5) | C1A—N1—P2—C31 | −79.4 (6) |
| C23—C24—C25—C26 | 1.3 (5) | C1B—N1—P2—C31 | −66.1 (9) |
| C24—C25—C26—C21 | −1.4 (5) | P1—N1—P2—C31 | 122.29 (14) |
| C22—C21—C26—C25 | 0.3 (5) | C1A—N1—P2—Pt1 | 161.2 (6) |
| P1—C21—C26—C25 | 178.6 (2) | C1B—N1—P2—Pt1 | 174.5 (9) |
| C36—C31—C32—C33 | −0.4 (5) | P1—N1—P2—Pt1 | 2.83 (11) |
| P2—C31—C32—C33 | −171.3 (3) | C46—C41—P2—N1 | 86.4 (3) |
| C31—C32—C33—C34 | 1.3 (5) | C42—C41—P2—N1 | −89.9 (3) |
| C32—C33—C34—C35 | −0.9 (5) | C46—C41—P2—C31 | −152.0 (2) |
| C33—C34—C35—C36 | −0.4 (5) | C42—C41—P2—C31 | 31.6 (3) |
| C34—C35—C36—C31 | 1.3 (5) | C46—C41—P2—Pt1 | −18.8 (3) |
| C32—C31—C36—C35 | −0.9 (4) | C42—C41—P2—Pt1 | 164.8 (2) |
| P2—C31—C36—C35 | 170.1 (2) | C32—C31—P2—N1 | −26.6 (3) |
| C46—C41—C42—C43 | −1.2 (4) | C36—C31—P2—N1 | 162.4 (2) |
| P2—C41—C42—C43 | 175.1 (2) | C32—C31—P2—C41 | −148.3 (2) |
| C41—C42—C43—C44 | 0.2 (5) | C36—C31—P2—C41 | 40.8 (3) |
| C42—C43—C44—C45 | 0.6 (5) | C32—C31—P2—Pt1 | 77.9 (3) |
| C43—C44—C45—C46 | −0.5 (6) | C36—C31—P2—Pt1 | −93.1 (2) |
| C44—C45—C46—C41 | −0.4 (6) | N1—P1—Pt1—P2i | −177.82 (8) |
| C42—C41—C46—C45 | 1.3 (5) | C11B—P1—Pt1—P2i | −60.8 (19) |
| P2—C41—C46—C45 | −175.2 (3) | C21—P1—Pt1—P2i | 65.99 (12) |
| C6A—C1A—N1—C1B | −101 (4) | C11A—P1—Pt1—P2i | −62.5 (12) |
| C2A—C1A—N1—C1B | 23 (3) | N1—P1—Pt1—P2 | 2.18 (8) |
| C6A—C1A—N1—P1 | 94.2 (10) | C11B—P1—Pt1—P2 | 119.2 (19) |
| C2A—C1A—N1—P1 | −140.9 (5) | C21—P1—Pt1—P2 | −114.01 (12) |
| C6A—C1A—N1—P2 | −61.2 (11) | C11A—P1—Pt1—P2 | 117.5 (12) |
| C2A—C1A—N1—P2 | 63.7 (10) | N1—P2—Pt1—P1i | 177.83 (8) |
| C2B—C1B—N1—C1A | −70 (4) | C41—P2—Pt1—P1i | −66.62 (11) |
| C6B—C1B—N1—C1A | 57 (4) | C31—P2—Pt1—P1i | 62.78 (11) |
| C2B—C1B—N1—P1 | −49.5 (17) | N1—P2—Pt1—P1 | −2.17 (8) |
| C6B—C1B—N1—P1 | 77 (2) | C41—P2—Pt1—P1 | 113.38 (11) |
| C2B—C1B—N1—P2 | 142.5 (8) | C31—P2—Pt1—P1 | −117.22 (11) |
| C6B—C1B—N1—P2 | −90.8 (17) |
| H··· | ||||
| C12A—H12A···F2 | 0.95 | 2.45 | 3.186 (11) | 134 |
| C32—H32···F2 | 0.95 | 2.47 | 3.138 (4) | 127 |
Selected bond lengths (Å)
| Pt1—P1 | 2.2918 (9) |
| Pt1—P2 | 2.2999 (9) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C12 | 0.95 | 2.45 | 3.186 (11) | 134 |
| C32—H32⋯F2 | 0.95 | 2.47 | 3.138 (4) | 127 |