Table 3. Experimental details.
| Crystal data | |
| Chemical formula | [Ni(C17H11N6O2)2]·2CH4O |
| M r | 785.42 |
| Crystal system, space group | Orthorhombic, Pbcn |
| Temperature (K) | 200 |
| a, b, c (Å) | 12.7636 (4), 10.4956 (4), 26.5411 (12) |
| V (Å3) | 3555.5 (2) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.61 |
| Crystal size (mm) | 0.3 × 0.25 × 0.04 |
| Data collection | |
| Diffractometer | Xcalibur, Eos |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2024 ▸) |
| Tmin, Tmax | 0.982, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 12665, 3146, 2236 |
| R int | 0.060 |
| (sin θ/λ)max (Å−1) | 0.595 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.053, 0.098, 1.04 |
| No. of reflections | 3146 |
| No. of parameters | 254 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.31, −0.35 |