Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [Ni(NCS)2(C5H4ClN)2(H2O)2] |
| M r | 437.99 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 200 |
| a, b, c (Å) | 19.5045 (15), 7.5486 (5), 14.9387 (11) |
| β (°) | 125.560 (7) |
| V (Å3) | 1789.3 (3) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 1.63 |
| Crystal size (mm) | 0.14 × 0.09 × 0.06 |
| Data collection | |
| Diffractometer | STOE IPDS1 |
| Absorption correction | Numerical (X-RED32 and X-SHAPE; Stoe, 2008 ▸) |
| T min, T max | 0.796, 0.881 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 7195, 1568, 1321 |
| R int | 0.086 |
| (sin θ/λ)max (Å−1) | 0.596 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.049, 0.123, 1.03 |
| No. of reflections | 1568 |
| No. of parameters | 107 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.87, −0.87 |