Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [NiCl2(C5H5N)(C24H16N6)] |
| M r | 597.14 |
| Crystal system, space group | Hexagonal, P6122 |
| Temperature (K) | 223 |
| a, c (Å) | 13.8244 (4), 23.8935 (8) |
| V (Å3) | 3954.6 (3) |
| Z | 6 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.97 |
| Crystal size (mm) | 0.15 × 0.10 × 0.07 |
| Data collection | |
| Diffractometer | PHOTON 100 CMOS detector |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| T min, T max | 0.700, 0.744 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 125055, 2614, 2412 |
| R int | 0.106 |
| (sin θ/λ)max (Å−1) | 0.618 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.024, 0.054, 1.08 |
| No. of reflections | 2614 |
| No. of parameters | 179 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.22, −0.14 |
| Absolute structure | Flack x determined using 894 quotients [(I +)−(I −)]/[(I +)+(I −)] (Parsons et al., 2013 ▸). |
| Absolute structure parameter | −0.002 (5) |