Table 3. Experimental details.
| Crystal data | |
| Chemical formula | [Ni(C16H16N3S)2]·2C4H8O·H2O |
| M r | 809.71 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 200 |
| a, b, c (Å) | 20.9248 (13), 8.7872 (5), 21.2833 (15) |
| β (°) | 92.841 (8) |
| V (Å3) | 3908.6 (4) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.65 |
| Crystal size (mm) | 0.19 × 0.15 × 0.10 |
| Data collection | |
| Diffractometer | Stoe IPDS1 |
| Absorption correction | Numerical (X-SHAPE and X-RED32; Stoe & Cie, 2008 ▶) |
| T min, T max | 0.787, 0.941 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 40358, 8412, 7107 |
| R int | 0.064 |
| (sin θ/λ)max (Å−1) | 0.639 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.038, 0.090, 1.04 |
| No. of reflections | 8412 |
| No. of parameters | 488 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.32, −0.48 |