Table 1.
Crystal and intensity collection data for {fac-Pt(CH33}2(μ-1)2(μ-adenine) ·CHCl3 · CH3CH2OH.
| formula | C14H30Cl3I2N5OPt2 |
| molecular weight, g mol−1 | 1034.76 |
| temperature, K | 100.00 |
| wavelength, Å | 0.71073 |
| lattice | triclinic |
| space group | P −1 |
| cell constants | |
| a, Å | 10.1669(9) |
| b, Å | 10.5929(9) |
| c, Å | 13.0266(11) |
| α, deg. | 92.574(3) |
| β, deg. | 109.885(3) |
| γ, deg. | 103.182(4) |
| volume, Å3 | 1272.97(19) |
| Z | 2 |
| ρ (calc.) g cm−3 | 2.700 |
| absorption coefficient, mm−1 | 13.732 |
| F(000) | 940 |
| crystal size, mm3 | 0.337 x 0.189 x 0.066 |
| θ range | 1.992 to 33.778° |
| index ranges | −15 ≤ h ≤ 15 −16 ≤ k ≤ 16 −20 ≤ l ≤ 20 |
| reflections collected | 83,153 |
| independent reflections | 10,210 [Rint = 0.0328] |
| coverage, independent reflections | 100% |
| Absorption correction | Multi-scan |
| max. & min. transmission | 0.7467 and 0.3892 |
| refinement method | Full-matrix least-squares on F2 |
| data/restraints/parameters | 10,210/1/263 |
| goodness-of-fit on F2 | 1.085 |
| Final R indices [I > σ(I)] | R1 = 0.0223 wR2 = 0.0460 |
| R indices (all data) | R1 = 0.0282 wR2 = 0.0475 |
| largest difference peak and hole | 1.413 & – 1.998 e. Å−3 |