Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [CoCl2(C19H27N7S2)(H2O)] |
| M r | 565.44 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 173 |
| a, b, c (Å) | 26.3412 (8), 11.4270 (3), 8.6226 (3) |
| β (°) | 90.465 (3) |
| V (Å3) | 2595.31 (13) |
| Z | 4 |
| Radiation type | Cu Kα |
| μ (mm−1) | 8.80 |
| Crystal size (mm) | 0.32 × 0.24 × 0.1 |
| Data collection | |
| Diffractometer | Rigaku Oxford Diffraction Gemini Eos |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
| T min, T max | 0.050, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 7187, 2483, 1935 |
| R int | 0.077 |
| (sin θ/λ)max (Å−1) | 0.614 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.082, 0.235, 1.07 |
| No. of reflections | 2483 |
| No. of parameters | 149 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 1.40, −0.65 |