| Literature DB >> 21588173 |
Cornelia Vetter, Clemens Bruhn, Dirk Steinborn.
Abstract
The asymmetric unit of the title complex, [Pt(CH(3))(3)(C(10)H(8)N(2))(C(4)H(7)NS(2))]BF(4), contains two crystallographically independent mol-ecules. The Pt(IV) atom in each complex cation exhibits a distorted octa-hedral coordination geometry, built up by three methyl ligands in a facial binding fashion, a bipyridine ligand and a monodentately N-bound 2-methyl-sulfanyl-2-thia-zoline ligand (configuration index: OC-6-33). In the crystal structure, weak inter-molecular C-H⋯F hydrogen bonds are found between the complex cations and BF(4) (-) anions.Entities:
Year: 2010 PMID: 21588173 PMCID: PMC3007407 DOI: 10.1107/S1600536810027546
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Pt(CH3)3(C10H8N2)(C4H7NS2)]BF4 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 24955 reflections | |
| θ = 1.7–25.6° | |
| µ = 6.82 mm−1 | |
| α = 106.776 (6)° | |
| β = 106.690 (6)° | Block, yellow |
| γ = 97.050 (6)° | 0.55 × 0.30 × 0.26 mm |
| Stoe IPDS-2 diffractometer | 7133 independent reflections |
| Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus | 6275 reflections with |
| plane graphite | |
| Detector resolution: 6.67 pixels mm-1 | θmax = 25.0°, θmin = 1.7° |
| rotation method scans | |
| Absorption correction: numerical ( | |
| 15501 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 | |
| 7133 reflections | (Δ/σ)max = 0.002 |
| 513 parameters | Δρmax = 2.72 e Å−3 |
| 0 restraints | Δρmin = −4.03 e Å−3 |
| Pt1 | 0.90066 (2) | 0.795521 (18) | 0.128788 (14) | 0.03034 (11) | |
| S1 | 0.7153 (2) | 0.42771 (14) | −0.05713 (12) | 0.0476 (5) | |
| S2 | 0.6969 (2) | 0.54876 (14) | 0.11679 (12) | 0.0439 (4) | |
| N1 | 0.8333 (6) | 0.6290 (4) | 0.0323 (3) | 0.0316 (12) | |
| N2 | 0.6950 (6) | 0.8095 (4) | 0.1220 (4) | 0.0325 (12) | |
| N3 | 0.8303 (5) | 0.8527 (4) | 0.0203 (3) | 0.0298 (11) | |
| C1 | 0.9596 (8) | 0.7432 (6) | 0.2332 (5) | 0.0430 (17) | |
| H1A | 1.0320 | 0.7996 | 0.2812 | 0.065* | |
| H1B | 0.9933 | 0.6773 | 0.2166 | 0.065* | |
| H1C | 0.8814 | 0.7279 | 0.2515 | 0.065* | |
| C2 | 1.0985 (8) | 0.8014 (7) | 0.1312 (5) | 0.0441 (18) | |
| H2A | 1.0987 | 0.7524 | 0.0761 | 0.066* | |
| H2B | 1.1487 | 0.7792 | 0.1788 | 0.066* | |
| H2C | 1.1421 | 0.8754 | 0.1399 | 0.066* | |
| C3 | 0.9625 (7) | 0.9513 (5) | 0.2160 (5) | 0.0399 (16) | |
| H3A | 0.9384 | 0.9531 | 0.2674 | 0.060* | |
| H3B | 0.9173 | 0.9993 | 0.1891 | 0.060* | |
| H3C | 1.0615 | 0.9756 | 0.2329 | 0.060* | |
| C4 | 0.7580 (7) | 0.5470 (5) | 0.0323 (4) | 0.0349 (14) | |
| C5 | 0.8328 (8) | 0.4902 (6) | −0.0979 (5) | 0.0479 (18) | |
| H5A | 0.9196 | 0.4662 | −0.0841 | 0.057* | |
| H5B | 0.7932 | 0.4715 | −0.1615 | 0.057* | |
| C6 | 0.8557 (9) | 0.6106 (6) | −0.0524 (4) | 0.049 (2) | |
| H6A | 0.9498 | 0.6469 | −0.0427 | 0.058* | |
| H6B | 0.7917 | 0.6413 | −0.0888 | 0.058* | |
| C7 | 0.5935 (8) | 0.4148 (6) | 0.0833 (5) | 0.0464 (18) | |
| H7A | 0.5181 | 0.4015 | 0.0296 | 0.070* | |
| H7B | 0.5570 | 0.4084 | 0.1286 | 0.070* | |
| H7C | 0.6492 | 0.3614 | 0.0733 | 0.070* | |
| C8 | 0.6363 (7) | 0.7983 (5) | 0.1800 (4) | 0.0385 (16) | |
| H8A | 0.6831 | 0.7741 | 0.2250 | 0.046* | |
| C9 | 0.5110 (7) | 0.8206 (5) | 0.1766 (5) | 0.0390 (16) | |
| H9A | 0.4724 | 0.8123 | 0.2188 | 0.047* | |
| C10 | 0.4419 (7) | 0.8549 (6) | 0.1115 (5) | 0.0440 (18) | |
| H10A | 0.3546 | 0.8697 | 0.1076 | 0.053* | |
| C11 | 0.5008 (7) | 0.8677 (6) | 0.0519 (5) | 0.0439 (17) | |
| H11A | 0.4555 | 0.8925 | 0.0069 | 0.053* | |
| C12 | 0.6281 (7) | 0.8436 (5) | 0.0584 (4) | 0.0337 (14) | |
| C13 | 0.7013 (7) | 0.8560 (5) | −0.0021 (4) | 0.0337 (15) | |
| C14 | 0.6371 (8) | 0.8755 (6) | −0.0784 (5) | 0.0434 (17) | |
| H14A | 0.5430 | 0.8760 | −0.0955 | 0.052* | |
| C15 | 0.7138 (9) | 0.8938 (7) | −0.1279 (5) | 0.051 (2) | |
| H15A | 0.6729 | 0.9085 | −0.1794 | 0.061* | |
| C16 | 0.8479 (8) | 0.8911 (6) | −0.1033 (5) | 0.0454 (17) | |
| H16A | 0.9018 | 0.9037 | −0.1370 | 0.054* | |
| C17 | 0.9039 (7) | 0.8695 (5) | −0.0282 (4) | 0.0367 (15) | |
| H17A | 0.9973 | 0.8666 | −0.0107 | 0.044* | |
| Pt2 | 0.69060 (2) | 0.254880 (18) | 0.416978 (15) | 0.03203 (11) | |
| S3 | 0.7284 (2) | 0.00166 (16) | 0.57064 (12) | 0.0508 (5) | |
| S4 | 0.8042 (3) | 0.00206 (16) | 0.41291 (13) | 0.0553 (5) | |
| N4 | 0.7031 (6) | 0.1511 (5) | 0.5008 (4) | 0.0385 (13) | |
| N5 | 0.9006 (6) | 0.2658 (4) | 0.4277 (4) | 0.0336 (13) | |
| N6 | 0.7990 (6) | 0.3874 (4) | 0.5379 (4) | 0.0376 (14) | |
| C18 | 0.6002 (8) | 0.1255 (6) | 0.3032 (5) | 0.0439 (18) | |
| H18A | 0.6703 | 0.0907 | 0.2869 | 0.066* | |
| H18B | 0.5520 | 0.1510 | 0.2572 | 0.066* | |
| H18C | 0.5354 | 0.0731 | 0.3114 | 0.066* | |
| C19 | 0.4940 (8) | 0.2598 (8) | 0.4102 (6) | 0.055 (2) | |
| H19A | 0.4565 | 0.2017 | 0.4275 | 0.083* | |
| H19B | 0.4390 | 0.2503 | 0.3507 | 0.083* | |
| H19C | 0.4923 | 0.3299 | 0.4492 | 0.083* | |
| C20 | 0.6776 (10) | 0.3554 (7) | 0.3447 (7) | 0.061 (2) | |
| H20A | 0.5874 | 0.3335 | 0.2998 | 0.091* | |
| H20B | 0.7478 | 0.3504 | 0.3173 | 0.091* | |
| H20C | 0.6916 | 0.4301 | 0.3824 | 0.091* | |
| C21 | 0.7396 (7) | 0.0620 (5) | 0.4931 (4) | 0.0384 (15) | |
| C22 | 0.6366 (8) | 0.1002 (6) | 0.6105 (5) | 0.0486 (19) | |
| H22A | 0.5375 | 0.0683 | 0.5873 | 0.058* | |
| H22B | 0.6669 | 0.1252 | 0.6746 | 0.058* | |
| C23 | 0.6678 (8) | 0.1919 (6) | 0.5802 (5) | 0.0445 (17) | |
| H23A | 0.5876 | 0.2244 | 0.5676 | 0.053* | |
| H23B | 0.7450 | 0.2484 | 0.6259 | 0.053* | |
| C24 | 0.8292 (12) | −0.1231 (7) | 0.4296 (6) | 0.067 (3) | |
| H24A | 0.7406 | −0.1726 | 0.4112 | 0.101* | |
| H24B | 0.8772 | −0.1088 | 0.4912 | 0.101* | |
| H24C | 0.8835 | −0.1559 | 0.3956 | 0.101* | |
| C25 | 0.9448 (7) | 0.2162 (5) | 0.3634 (4) | 0.0380 (15) | |
| H25A | 0.8800 | 0.1706 | 0.3092 | 0.046* | |
| C26 | 1.0807 (8) | 0.2298 (6) | 0.3738 (5) | 0.0420 (16) | |
| H26A | 1.1095 | 0.1942 | 0.3274 | 0.050* | |
| C27 | 1.1754 (8) | 0.2958 (6) | 0.4526 (5) | 0.0454 (17) | |
| H27A | 1.2701 | 0.3046 | 0.4617 | 0.054* | |
| C28 | 1.1301 (7) | 0.3490 (6) | 0.5182 (5) | 0.0421 (16) | |
| H28A | 1.1935 | 0.3957 | 0.5724 | 0.051* | |
| C29 | 0.9931 (7) | 0.3338 (5) | 0.5040 (4) | 0.0345 (14) | |
| C30 | 0.9366 (7) | 0.3958 (5) | 0.5676 (5) | 0.0385 (16) | |
| C31 | 1.0144 (8) | 0.4619 (6) | 0.6503 (5) | 0.049 (2) | |
| H31A | 1.1093 | 0.4646 | 0.6710 | 0.059* | |
| C32 | 0.9557 (10) | 0.5250 (6) | 0.7040 (5) | 0.061 (2) | |
| H32A | 1.0088 | 0.5708 | 0.7613 | 0.073* | |
| C33 | 0.8183 (10) | 0.5189 (6) | 0.6712 (5) | 0.056 (2) | |
| H33A | 0.7755 | 0.5627 | 0.7055 | 0.068* | |
| C34 | 0.7431 (9) | 0.4500 (6) | 0.5896 (5) | 0.048 (2) | |
| H34A | 0.6480 | 0.4462 | 0.5685 | 0.058* | |
| F1 | 0.5476 (9) | 0.3215 (6) | 0.7103 (5) | 0.102 (2) | |
| F2 | 0.3580 (5) | 0.3890 (5) | 0.7105 (3) | 0.0725 (16) | |
| F3 | 0.5624 (6) | 0.4994 (5) | 0.7516 (3) | 0.0755 (16) | |
| F4 | 0.4545 (5) | 0.3968 (5) | 0.6108 (3) | 0.0651 (15) | |
| B1 | 0.4768 (10) | 0.3997 (8) | 0.6943 (6) | 0.048 (2) | |
| F5 | 0.7192 (6) | 0.2028 (6) | 0.1475 (4) | 0.089 (2) | |
| F6 | 0.9447 (5) | 0.2042 (5) | 0.1846 (3) | 0.0673 (14) | |
| F7 | 0.8041 (6) | 0.1086 (5) | 0.0505 (4) | 0.084 (2) | |
| F8 | 0.8528 (7) | 0.2856 (5) | 0.0919 (4) | 0.0819 (17) | |
| B2 | 0.8268 (10) | 0.1985 (7) | 0.1203 (6) | 0.045 (2) |
| Pt1 | 0.02865 (17) | 0.03093 (15) | 0.02646 (15) | 0.00606 (11) | 0.00803 (11) | 0.00410 (11) |
| S1 | 0.0597 (12) | 0.0337 (8) | 0.0392 (9) | 0.0042 (8) | 0.0200 (9) | −0.0030 (7) |
| S2 | 0.0535 (11) | 0.0355 (8) | 0.0407 (9) | 0.0052 (8) | 0.0232 (8) | 0.0050 (7) |
| N1 | 0.028 (3) | 0.035 (3) | 0.026 (3) | 0.009 (2) | 0.007 (2) | 0.003 (2) |
| N2 | 0.032 (3) | 0.029 (2) | 0.032 (3) | 0.005 (2) | 0.013 (2) | 0.003 (2) |
| N3 | 0.027 (3) | 0.030 (2) | 0.026 (2) | 0.004 (2) | 0.004 (2) | 0.007 (2) |
| C1 | 0.045 (4) | 0.047 (4) | 0.033 (3) | 0.011 (3) | 0.009 (3) | 0.012 (3) |
| C2 | 0.030 (4) | 0.055 (4) | 0.040 (4) | 0.006 (3) | 0.010 (3) | 0.010 (3) |
| C3 | 0.035 (4) | 0.037 (3) | 0.041 (4) | 0.009 (3) | 0.009 (3) | 0.007 (3) |
| C4 | 0.033 (3) | 0.031 (3) | 0.033 (3) | 0.010 (3) | 0.007 (3) | 0.004 (3) |
| C5 | 0.049 (4) | 0.050 (4) | 0.038 (4) | 0.013 (4) | 0.015 (3) | 0.006 (3) |
| C6 | 0.078 (6) | 0.036 (3) | 0.025 (3) | 0.012 (4) | 0.020 (4) | −0.003 (3) |
| C7 | 0.048 (4) | 0.038 (4) | 0.056 (4) | 0.009 (3) | 0.024 (4) | 0.014 (3) |
| C8 | 0.043 (4) | 0.036 (3) | 0.034 (3) | 0.006 (3) | 0.019 (3) | 0.004 (3) |
| C9 | 0.038 (4) | 0.039 (3) | 0.044 (4) | 0.009 (3) | 0.023 (3) | 0.010 (3) |
| C10 | 0.032 (4) | 0.042 (4) | 0.052 (4) | 0.009 (3) | 0.018 (3) | 0.004 (3) |
| C11 | 0.041 (4) | 0.040 (4) | 0.048 (4) | 0.009 (3) | 0.017 (3) | 0.010 (3) |
| C12 | 0.031 (3) | 0.030 (3) | 0.032 (3) | 0.001 (3) | 0.009 (3) | 0.003 (2) |
| C13 | 0.035 (4) | 0.030 (3) | 0.027 (3) | 0.001 (3) | 0.012 (3) | −0.002 (2) |
| C14 | 0.035 (4) | 0.050 (4) | 0.043 (4) | 0.011 (3) | 0.010 (3) | 0.015 (3) |
| C15 | 0.057 (5) | 0.057 (4) | 0.036 (4) | 0.008 (4) | 0.009 (3) | 0.019 (3) |
| C16 | 0.045 (4) | 0.053 (4) | 0.042 (4) | 0.012 (4) | 0.019 (3) | 0.017 (3) |
| C17 | 0.038 (4) | 0.041 (3) | 0.032 (3) | 0.006 (3) | 0.013 (3) | 0.014 (3) |
| Pt2 | 0.02815 (17) | 0.03542 (16) | 0.03201 (16) | 0.00603 (11) | 0.01136 (12) | 0.01006 (11) |
| S3 | 0.0646 (13) | 0.0493 (10) | 0.0361 (9) | 0.0065 (9) | 0.0116 (9) | 0.0192 (8) |
| S4 | 0.0844 (16) | 0.0482 (10) | 0.0480 (10) | 0.0291 (10) | 0.0350 (11) | 0.0195 (8) |
| N4 | 0.043 (3) | 0.038 (3) | 0.035 (3) | 0.005 (3) | 0.016 (3) | 0.011 (2) |
| N5 | 0.030 (3) | 0.033 (3) | 0.034 (3) | 0.005 (2) | 0.012 (2) | 0.006 (2) |
| N6 | 0.035 (3) | 0.034 (3) | 0.042 (3) | 0.002 (2) | 0.018 (3) | 0.007 (2) |
| C18 | 0.043 (4) | 0.050 (4) | 0.035 (3) | 0.004 (3) | 0.009 (3) | 0.016 (3) |
| C19 | 0.024 (4) | 0.075 (6) | 0.066 (5) | 0.007 (4) | 0.014 (4) | 0.027 (5) |
| C20 | 0.063 (6) | 0.051 (5) | 0.079 (6) | 0.014 (4) | 0.031 (5) | 0.031 (4) |
| C21 | 0.041 (4) | 0.037 (3) | 0.032 (3) | 0.005 (3) | 0.006 (3) | 0.012 (3) |
| C22 | 0.048 (4) | 0.060 (5) | 0.032 (3) | 0.003 (4) | 0.013 (3) | 0.011 (3) |
| C23 | 0.048 (4) | 0.055 (4) | 0.032 (3) | 0.012 (4) | 0.019 (3) | 0.011 (3) |
| C24 | 0.101 (8) | 0.048 (4) | 0.058 (5) | 0.030 (5) | 0.031 (5) | 0.016 (4) |
| C25 | 0.038 (4) | 0.043 (3) | 0.035 (3) | 0.009 (3) | 0.019 (3) | 0.008 (3) |
| C26 | 0.044 (4) | 0.048 (4) | 0.044 (4) | 0.019 (3) | 0.022 (3) | 0.018 (3) |
| C27 | 0.034 (4) | 0.054 (4) | 0.053 (4) | 0.013 (3) | 0.020 (3) | 0.018 (4) |
| C28 | 0.037 (4) | 0.042 (4) | 0.042 (4) | 0.003 (3) | 0.014 (3) | 0.008 (3) |
| C29 | 0.034 (4) | 0.034 (3) | 0.035 (3) | 0.006 (3) | 0.013 (3) | 0.011 (3) |
| C30 | 0.035 (4) | 0.031 (3) | 0.050 (4) | 0.005 (3) | 0.022 (3) | 0.008 (3) |
| C31 | 0.049 (4) | 0.042 (4) | 0.040 (4) | −0.006 (3) | 0.018 (3) | −0.004 (3) |
| C32 | 0.076 (6) | 0.043 (4) | 0.047 (4) | −0.007 (4) | 0.026 (4) | −0.006 (4) |
| C33 | 0.073 (6) | 0.041 (4) | 0.056 (5) | 0.003 (4) | 0.041 (5) | 0.002 (4) |
| C34 | 0.055 (5) | 0.038 (3) | 0.050 (4) | 0.004 (3) | 0.033 (4) | 0.000 (3) |
| F1 | 0.163 (7) | 0.105 (5) | 0.092 (5) | 0.085 (5) | 0.076 (5) | 0.056 (4) |
| F2 | 0.065 (3) | 0.108 (4) | 0.048 (3) | 0.014 (3) | 0.035 (2) | 0.019 (3) |
| F3 | 0.066 (3) | 0.085 (4) | 0.057 (3) | 0.005 (3) | 0.010 (3) | 0.013 (3) |
| F4 | 0.042 (3) | 0.117 (4) | 0.039 (2) | 0.019 (3) | 0.019 (2) | 0.026 (3) |
| B1 | 0.048 (5) | 0.060 (5) | 0.043 (4) | 0.017 (4) | 0.022 (4) | 0.018 (4) |
| F5 | 0.067 (3) | 0.152 (6) | 0.063 (3) | 0.034 (4) | 0.040 (3) | 0.036 (4) |
| F6 | 0.058 (3) | 0.091 (4) | 0.049 (3) | 0.033 (3) | 0.009 (2) | 0.022 (3) |
| F7 | 0.059 (3) | 0.075 (3) | 0.078 (4) | 0.011 (3) | 0.018 (3) | −0.024 (3) |
| F8 | 0.080 (4) | 0.085 (4) | 0.096 (4) | 0.027 (3) | 0.030 (4) | 0.048 (4) |
| B2 | 0.048 (5) | 0.053 (5) | 0.041 (4) | 0.019 (4) | 0.017 (4) | 0.021 (4) |
| Pt1—C1 | 2.062 (8) | Pt2—N5 | 2.146 (6) |
| Pt1—C2 | 2.060 (7) | Pt2—N6 | 2.174 (5) |
| Pt1—C3 | 2.060 (6) | S3—C21 | 1.760 (7) |
| Pt1—N1 | 2.222 (5) | S3—C22 | 1.809 (9) |
| Pt1—N2 | 2.166 (6) | S4—C21 | 1.738 (7) |
| Pt1—N3 | 2.176 (5) | S4—C24 | 1.799 (9) |
| S1—C4 | 1.755 (6) | N4—C21 | 1.269 (10) |
| S1—C5 | 1.811 (8) | N4—C23 | 1.483 (8) |
| S2—C4 | 1.740 (6) | N5—C25 | 1.346 (8) |
| S2—C7 | 1.800 (7) | N5—C29 | 1.358 (9) |
| N1—C4 | 1.264 (8) | N6—C34 | 1.346 (9) |
| N1—C6 | 1.493 (8) | N6—C30 | 1.368 (9) |
| N2—C12 | 1.344 (9) | C18—H18A | 0.9800 |
| N2—C8 | 1.345 (8) | C18—H18B | 0.9800 |
| N3—C13 | 1.310 (9) | C18—H18C | 0.9800 |
| N3—C17 | 1.332 (8) | C19—H19A | 0.9800 |
| C1—H1A | 0.9800 | C19—H19B | 0.9800 |
| C1—H1B | 0.9800 | C19—H19C | 0.9800 |
| C1—H1C | 0.9800 | C20—H20A | 0.9800 |
| C2—H2A | 0.9800 | C20—H20B | 0.9800 |
| C2—H2B | 0.9800 | C20—H20C | 0.9800 |
| C2—H2C | 0.9800 | C22—C23 | 1.489 (11) |
| C3—H3A | 0.9800 | C22—H22A | 0.9900 |
| C3—H3B | 0.9800 | C22—H22B | 0.9900 |
| C3—H3C | 0.9800 | C23—H23A | 0.9900 |
| C5—C6 | 1.512 (10) | C23—H23B | 0.9900 |
| C5—H5A | 0.9900 | C24—H24A | 0.9800 |
| C5—H5B | 0.9900 | C24—H24B | 0.9800 |
| C6—H6A | 0.9900 | C24—H24C | 0.9800 |
| C6—H6B | 0.9900 | C25—C26 | 1.370 (10) |
| C7—H7A | 0.9800 | C25—H25A | 0.9500 |
| C7—H7B | 0.9800 | C26—C27 | 1.383 (11) |
| C7—H7C | 0.9800 | C26—H26A | 0.9500 |
| C8—C9 | 1.374 (10) | C27—C28 | 1.385 (10) |
| C8—H8A | 0.9500 | C27—H27A | 0.9500 |
| C9—C10 | 1.374 (11) | C28—C29 | 1.369 (10) |
| C9—H9A | 0.9500 | C28—H28A | 0.9500 |
| C10—C11 | 1.376 (10) | C29—C30 | 1.480 (9) |
| C10—H10A | 0.9500 | C30—C31 | 1.373 (10) |
| C11—C12 | 1.395 (10) | C31—C32 | 1.391 (11) |
| C11—H11A | 0.9500 | C31—H31A | 0.9500 |
| C12—C13 | 1.489 (8) | C32—C33 | 1.375 (14) |
| C13—C14 | 1.400 (10) | C32—H32A | 0.9500 |
| C14—C15 | 1.376 (10) | C33—C34 | 1.366 (11) |
| C14—H14A | 0.9500 | C33—H33A | 0.9500 |
| C15—C16 | 1.360 (12) | C34—H34A | 0.9500 |
| C15—H15A | 0.9500 | F1—B1 | 1.391 (12) |
| C16—C17 | 1.380 (11) | F2—B1 | 1.356 (10) |
| C16—H16A | 0.9500 | F3—B1 | 1.403 (11) |
| C17—H17A | 0.9500 | F4—B1 | 1.370 (10) |
| Pt2—C18 | 2.061 (7) | F5—B2 | 1.342 (10) |
| Pt2—C19 | 2.048 (8) | F6—B2 | 1.379 (11) |
| Pt2—C20 | 2.055 (9) | F7—B2 | 1.360 (10) |
| Pt2—N4 | 2.245 (6) | F8—B2 | 1.401 (11) |
| C3—Pt1—C2 | 88.8 (3) | C19—Pt2—N6 | 99.8 (3) |
| C3—Pt1—C1 | 87.6 (3) | C20—Pt2—N6 | 92.9 (3) |
| C2—Pt1—C1 | 85.0 (3) | C18—Pt2—N6 | 176.0 (3) |
| C3—Pt1—N2 | 86.5 (2) | N5—Pt2—N6 | 76.4 (2) |
| C2—Pt1—N2 | 172.1 (3) | C19—Pt2—N4 | 91.2 (3) |
| C1—Pt1—N2 | 101.1 (3) | C20—Pt2—N4 | 177.3 (3) |
| C3—Pt1—N3 | 91.6 (3) | C18—Pt2—N4 | 93.7 (3) |
| C2—Pt1—N3 | 97.6 (3) | N5—Pt2—N4 | 92.1 (2) |
| C1—Pt1—N3 | 177.3 (2) | N6—Pt2—N4 | 85.0 (2) |
| N2—Pt1—N3 | 76.2 (2) | C21—S3—C22 | 89.1 (4) |
| C3—Pt1—N1 | 178.7 (2) | C21—S4—C24 | 103.3 (4) |
| C2—Pt1—N1 | 91.1 (3) | C21—N4—C23 | 112.4 (6) |
| C1—Pt1—N1 | 93.7 (3) | C21—N4—Pt2 | 130.6 (5) |
| N2—Pt1—N1 | 93.46 (19) | C23—N4—Pt2 | 117.0 (5) |
| N3—Pt1—N1 | 87.1 (2) | C25—N5—C29 | 119.0 (6) |
| C4—S1—C5 | 89.9 (3) | C25—N5—Pt2 | 125.0 (5) |
| C4—S2—C7 | 104.4 (3) | C29—N5—Pt2 | 115.9 (4) |
| C4—N1—C6 | 111.8 (5) | C34—N6—C30 | 118.5 (6) |
| C4—N1—Pt1 | 128.6 (4) | C34—N6—Pt2 | 126.7 (5) |
| C6—N1—Pt1 | 118.6 (4) | C30—N6—Pt2 | 114.2 (4) |
| C12—N2—C8 | 118.6 (6) | Pt2—C18—H18A | 109.5 |
| C12—N2—Pt1 | 115.2 (4) | Pt2—C18—H18B | 109.5 |
| C8—N2—Pt1 | 125.8 (5) | H18A—C18—H18B | 109.5 |
| C13—N3—C17 | 120.7 (6) | Pt2—C18—H18C | 109.5 |
| C13—N3—Pt1 | 114.5 (4) | H18A—C18—H18C | 109.5 |
| C17—N3—Pt1 | 124.2 (5) | H18B—C18—H18C | 109.5 |
| Pt1—C1—H1A | 109.5 | Pt2—C19—H19A | 109.5 |
| Pt1—C1—H1B | 109.5 | Pt2—C19—H19B | 109.5 |
| H1A—C1—H1B | 109.5 | H19A—C19—H19B | 109.5 |
| Pt1—C1—H1C | 109.5 | Pt2—C19—H19C | 109.5 |
| H1A—C1—H1C | 109.5 | H19A—C19—H19C | 109.5 |
| H1B—C1—H1C | 109.5 | H19B—C19—H19C | 109.5 |
| Pt1—C2—H2A | 109.5 | Pt2—C20—H20A | 109.5 |
| Pt1—C2—H2B | 109.5 | Pt2—C20—H20B | 109.5 |
| H2A—C2—H2B | 109.5 | H20A—C20—H20B | 109.5 |
| Pt1—C2—H2C | 109.5 | Pt2—C20—H20C | 109.5 |
| H2A—C2—H2C | 109.5 | H20A—C20—H20C | 109.5 |
| H2B—C2—H2C | 109.5 | H20B—C20—H20C | 109.5 |
| Pt1—C3—H3A | 109.5 | N4—C21—S4 | 122.7 (5) |
| Pt1—C3—H3B | 109.5 | N4—C21—S3 | 117.1 (5) |
| H3A—C3—H3B | 109.5 | S4—C21—S3 | 120.2 (4) |
| Pt1—C3—H3C | 109.5 | C23—C22—S3 | 106.2 (5) |
| H3A—C3—H3C | 109.5 | C23—C22—H22A | 110.5 |
| H3B—C3—H3C | 109.5 | S3—C22—H22A | 110.5 |
| N1—C4—S2 | 122.6 (5) | C23—C22—H22B | 110.5 |
| N1—C4—S1 | 117.6 (5) | S3—C22—H22B | 110.5 |
| S2—C4—S1 | 119.8 (4) | H22A—C22—H22B | 108.7 |
| C6—C5—S1 | 105.1 (5) | N4—C23—C22 | 109.0 (6) |
| C6—C5—H5A | 110.7 | N4—C23—H23A | 109.9 |
| S1—C5—H5A | 110.7 | C22—C23—H23A | 109.9 |
| C6—C5—H5B | 110.7 | N4—C23—H23B | 109.9 |
| S1—C5—H5B | 110.7 | C22—C23—H23B | 109.9 |
| H5A—C5—H5B | 108.8 | H23A—C23—H23B | 108.3 |
| N1—C6—C5 | 108.9 (6) | S4—C24—H24A | 109.5 |
| N1—C6—H6A | 109.9 | S4—C24—H24B | 109.5 |
| C5—C6—H6A | 109.9 | H24A—C24—H24B | 109.5 |
| N1—C6—H6B | 109.9 | S4—C24—H24C | 109.5 |
| C5—C6—H6B | 109.9 | H24A—C24—H24C | 109.5 |
| H6A—C6—H6B | 108.3 | H24B—C24—H24C | 109.5 |
| S2—C7—H7A | 109.5 | N5—C25—C26 | 121.9 (6) |
| S2—C7—H7B | 109.5 | N5—C25—H25A | 119.1 |
| H7A—C7—H7B | 109.5 | C26—C25—H25A | 119.1 |
| S2—C7—H7C | 109.5 | C25—C26—C27 | 119.2 (6) |
| H7A—C7—H7C | 109.5 | C25—C26—H26A | 120.4 |
| H7B—C7—H7C | 109.5 | C27—C26—H26A | 120.4 |
| N2—C8—C9 | 122.3 (7) | C26—C27—C28 | 119.0 (7) |
| N2—C8—H8A | 118.8 | C26—C27—H27A | 120.5 |
| C9—C8—H8A | 118.8 | C28—C27—H27A | 120.5 |
| C8—C9—C10 | 119.3 (6) | C29—C28—C27 | 119.4 (6) |
| C8—C9—H9A | 120.3 | C29—C28—H28A | 120.3 |
| C10—C9—H9A | 120.3 | C27—C28—H28A | 120.3 |
| C9—C10—C11 | 119.2 (7) | N5—C29—C28 | 121.4 (6) |
| C9—C10—H10A | 120.4 | N5—C29—C30 | 116.0 (6) |
| C11—C10—H10A | 120.4 | C28—C29—C30 | 122.4 (6) |
| C10—C11—C12 | 119.0 (8) | C31—C30—N6 | 120.5 (6) |
| C10—C11—H11A | 120.5 | C31—C30—C29 | 123.9 (7) |
| C12—C11—H11A | 120.5 | N6—C30—C29 | 115.6 (6) |
| N2—C12—C11 | 121.5 (6) | C30—C31—C32 | 120.6 (8) |
| N2—C12—C13 | 115.2 (6) | C30—C31—H31A | 119.7 |
| C11—C12—C13 | 123.2 (7) | C32—C31—H31A | 119.7 |
| N3—C13—C14 | 120.7 (6) | C33—C32—C31 | 117.7 (7) |
| N3—C13—C12 | 117.6 (6) | C33—C32—H32A | 121.1 |
| C14—C13—C12 | 121.7 (6) | C31—C32—H32A | 121.1 |
| C15—C14—C13 | 118.4 (7) | C34—C33—C32 | 120.2 (7) |
| C15—C14—H14A | 120.8 | C34—C33—H33A | 119.9 |
| C13—C14—H14A | 120.8 | C32—C33—H33A | 119.9 |
| C16—C15—C14 | 120.1 (7) | N6—C34—C33 | 122.3 (8) |
| C16—C15—H15A | 119.9 | N6—C34—H34A | 118.8 |
| C14—C15—H15A | 119.9 | C33—C34—H34A | 118.8 |
| C15—C16—C17 | 118.4 (7) | F2—B1—F4 | 110.8 (8) |
| C15—C16—H16A | 120.8 | F2—B1—F1 | 112.5 (8) |
| C17—C16—H16A | 120.8 | F4—B1—F1 | 110.1 (7) |
| N3—C17—C16 | 121.6 (7) | F2—B1—F3 | 108.5 (7) |
| N3—C17—H17A | 119.2 | F4—B1—F3 | 109.2 (7) |
| C16—C17—H17A | 119.2 | F1—B1—F3 | 105.6 (8) |
| C19—Pt2—C20 | 87.6 (4) | F5—B2—F7 | 112.4 (8) |
| C19—Pt2—C18 | 84.0 (4) | F5—B2—F6 | 112.9 (7) |
| C20—Pt2—C18 | 88.5 (3) | F7—B2—F6 | 109.1 (8) |
| C19—Pt2—N5 | 174.7 (3) | F5—B2—F8 | 110.3 (8) |
| C20—Pt2—N5 | 89.0 (3) | F7—B2—F8 | 104.9 (7) |
| C18—Pt2—N5 | 99.9 (3) | F6—B2—F8 | 106.7 (7) |
| H··· | ||||
| C7—H7C···F8 | 0.98 | 2.45 | 3.383 (11) | 158 |
| C9—H9A···F1i | 0.95 | 2.44 | 3.192 (10) | 136 |
| C16—H16A···F6ii | 0.95 | 2.44 | 3.114 (9) | 128 |
| C17—H17A···F7ii | 0.95 | 2.39 | 3.190 (9) | 142 |
| C28—H28A···F2iii | 0.95 | 2.53 | 3.322 (10) | 141 |
| C32—H32A···F8iv | 0.95 | 2.55 | 3.497 (11) | 173 |
| C34—H34A···F4 | 0.95 | 2.43 | 3.178 (8) | 136 |
Selected bond lengths (Å)
| Pt1—C1 | 2.062 (8) |
| Pt1—C2 | 2.060 (7) |
| Pt1—C3 | 2.060 (6) |
| Pt1—N1 | 2.222 (5) |
| Pt1—N2 | 2.166 (6) |
| Pt1—N3 | 2.176 (5) |
| Pt2—C18 | 2.061 (7) |
| Pt2—C19 | 2.048 (8) |
| Pt2—C20 | 2.055 (9) |
| Pt2—N4 | 2.245 (6) |
| Pt2—N5 | 2.146 (6) |
| Pt2—N6 | 2.174 (5) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C7—H7 | 0.98 | 2.45 | 3.383 (11) | 158 |
| C9—H9 | 0.95 | 2.44 | 3.192 (10) | 136 |
| C16—H16 | 0.95 | 2.44 | 3.114 (9) | 128 |
| C17—H17 | 0.95 | 2.39 | 3.190 (9) | 142 |
| C28—H28 | 0.95 | 2.53 | 3.322 (10) | 141 |
| C32—H32 | 0.95 | 2.55 | 3.497 (11) | 173 |
| C34—H34 | 0.95 | 2.43 | 3.178 (8) | 136 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .