Table 1. X-ray Crystallographic Data for the Two Crystals Analyzeda.
| sample | Pt[TPC](Ar)(py) | Pt[TpCF3PC](Ar)(py) |
|---|---|---|
| chemical formula | C49H32N6Pt | C52H29F9N6Pt |
| formula mass | 899.89 | 1103.90 |
| crystal system | triclinic | monoclinic |
| space group | P1̅ | C2/c |
| λ (Å) | 0.7293 | 0.8857 |
| a (Å) | 9.4792(15) | 18.9584(10) |
| b (Å) | 12.0922(19) | 16.8577(8) |
| c (Å) | 16.675(3) | 14.0096(7) |
| α (deg) | 109.102(3) | 90 |
| β (deg) | 95.415(3) | 111.553(3) |
| γ (deg) | 90.850(3) | 90 |
| Z | 2 | 4 |
| V (Å3) | 1795.9(5) | 4164.3(4) |
| temperature (K) | 173(2) | 100(2) |
| density (g/cm3) | 1.664 | 1.761 |
| measured reflections | 47 230 | 20 649 |
| unique reflections | 11 271 | 4807 |
| parameters | 506 | 340 |
| restraints | 0 | 58 |
| Rint | 0.1151 | 0.0544 |
| θ range (deg) | 2.217–31.857 | 2.237–21.225 |
| R1, wR2 all data | 0.0583, 0.1336 | 0.0482, 0.0746 |
| S (GooF) all data | 1.033 | 1.037 |
| max/min res. dens. (e/Å3) | 3.436/–1.496 | 0.968/–0.872 |
a
Ar = m-C6H4CN.