Table 3. Experimental details.
| Crystal data | |
| Chemical formula | [Fe(C18H15N6O2)2]·2CH4O·2CHCl3 |
| M r | 1053.39 |
| Crystal system, space group | Orthorhombic, P b c n |
| Temperature (K) | 180 |
| a, b, c (Å) | 12.7195 (9), 10.281 (3), 36.735 (3) |
| V (Å3) | 4804.0 (13) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.71 |
| Crystal size (mm) | 0.25 × 0.2 × 0.03 |
| Data collection | |
| Diffractometer | Xcalibur, Eos |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2022 ▸) |
| T min, T max | 0.995, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 18857, 5510, 2962 |
| R int | 0.092 |
| (sin θ/λ)max (Å−1) | 0.688 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.079, 0.145, 1.03 |
| No. of reflections | 5510 |
| No. of parameters | 298 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.39, −0.44 |