Table 3. Experimental details.
| Crystal data | |
| Chemical formula | [CuCl(C7H7N3O2S)(C18H15P)2] |
| M r | 820.74 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 11.6986 (1), 28.7847 (4), 11.8471 (1) |
| β (°) | 106.3394 (9) |
| V (Å3) | 3828.28 (7) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.82 |
| Crystal size (mm) | 0.45 × 0.32 × 0.20 |
| Data collection | |
| Diffractometer | Nonius KappaCCD |
| Absorption correction | Multi-scan (SCALEPACK; Otwinowski & Minor, 1997 ▸) |
| T min, T max | 0.746, 0.853 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 37561, 10435, 8243 |
| R int | 0.034 |
| (sin θ/λ)max (Å−1) | 0.720 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.035, 0.095, 1.10 |
| No. of reflections | 10435 |
| No. of parameters | 488 |
| No. of restraints | 3 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.53, −0.70 |