Table 1. Experimental details.
| Crystal data | |
| Chemical formula | [IrCl3(C4H8S)3] |
| M r | 563.04 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 100 |
| a, b, c (Å) | 11.9160 (3), 10.2528 (2), 14.9434 (4) |
| β (°) | 107.202 (3) |
| V (Å3) | 1744.00 (7) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 8.46 |
| Crystal size (mm) | 0.51 × 0.43 × 0.32 |
| Data collection | |
| Diffractometer | Rigaku OD Xcalibur Eos Gemini ultra |
| Absorption correction | Analytical [CrysAlis PRO (Rigaku Oxford Diffraction, 2015 ▸) based on expressions derived by Clark & Reid (1995 ▸)] |
| T min, T max | 0.064, 0.155 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 19537, 5773, 5062 |
| R int | 0.042 |
| (sin θ/λ)max (Å−1) | 0.751 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.029, 0.063, 1.05 |
| No. of reflections | 5773 |
| No. of parameters | 172 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 1.54, −1.46 |