Table 3. Experimental details.
| Crystal data | |
| Chemical formula | [Ni(C16H13ClN2O3)(C3H4N2)] |
| M r | 443.52 |
| Crystal system, space group | Tetragonal, I41/a |
| Temperature (K) | 295 |
| a, c (Å) | 30.879 (4), 8.0750 (16) |
| V (Å3) | 7700 (3) |
| Z | 16 |
| Radiation type | Mo Kα |
| μ (mm−1) | 1.18 |
| Crystal size (mm) | 0.35 × 0.25 × 0.16 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD area detector |
| Absorption correction | Multi-scan (SADABS; Bruker, 2003 ▸) |
| T min, T max | 0.735, 0.860 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 23938, 4924, 3431 |
| R int | 0.038 |
| (sin θ/λ)max (Å−1) | 0.678 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.038, 0.106, 1.00 |
| No. of reflections | 4924 |
| No. of parameters | 259 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.79, −0.21 |