Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [Fe(C5H5)(C13H11N4)] |
| M r | 344.20 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 110 |
| a, b, c (Å) | 17.349 (8), 6.894 (3), 12.173 (5) |
| β (°) | 92.878 (12) |
| V (Å3) | 1454.0 (11) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 1.04 |
| Crystal size (mm) | 0.15 × 0.10 × 0.04 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| T min, T max | 0.829, 0.956 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 37974, 2578, 1877 |
| R int | 0.105 |
| (sin θ/λ)max (Å−1) | 0.596 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.036, 0.078, 1.02 |
| No. of reflections | 2578 |
| No. of parameters | 216 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.42, −0.32 |