Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [Ni(C12H14N3S)2]·C3H7NO |
| M r | 596.45 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 123 |
| a, b, c (Å) | 12.5864 (3), 11.6273 (3), 19.1271 (5) |
| β (°) | 90.529 (1) |
| V (Å3) | 2799.05 (12) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.88 |
| Crystal size (mm) | 0.33 × 0.14 × 0.02 |
| Data collection | |
| Diffractometer | Nonius Kappa CCD area detector |
| Absorption correction | Multi-scan (Blessing, 1995 ▸) |
| T min, T max | 0.761, 0.981 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 46078, 6368, 4870 |
| R int | 0.057 |
| (sin θ/λ)max (Å−1) | 0.649 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.034, 0.081, 1.03 |
| No. of reflections | 6368 |
| No. of parameters | 347 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.28, −0.35 |
Computer programs: COLLECT (Nonius, 1998 ▸), DENZO and SCALEPACK (Otwinowski & Minor, 1997 ▸), SHELXS97 (Sheldrick, 2008 ▸), SHELXL2016 (Sheldrick, 2015 ▸), WinGX (Farrugia, 2012 ▸), DIAMOND (Brandenburg, 2006 ▸), Crystal Explorer (Wolff et al., 2012 ▸), publCIF (Westrip, 2010 ▸) and enCIFer (Allen et al., 2004 ▸).