Table 3. Experimental details.
| Crystal data | |
| Chemical formula | [Ni(NCSe)2(C5H5N)4] |
| M r | 585.07 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 170 |
| a, b, c (Å) | 12.4422 (10), 13.2302 (9), 15.0723 (12) |
| β (°) | 108.755 (9) |
| V (Å3) | 2349.4 (3) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 3.95 |
| Crystal size (mm) | 0.50 × 0.40 × 0.30 |
| Data collection | |
| Diffractometer | Stoe IPDS2 |
| Absorption correction | Numerical (X-SHAPE and X-RED 32; Stoe, 2008 ▸) |
| T min, T max | 0.486, 0.563 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 7129, 2485, 1971 |
| R int | 0.034 |
| (sin θ/λ)max (Å−1) | 0.639 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.030, 0.075, 1.02 |
| No. of reflections | 2485 |
| No. of parameters | 142 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.89, −0.64 |