Table 3. Experimental details.
| Crystal data | |
| Chemical formula | (C5H7N2)[Fe(C6H4O2)(C6H5O2)] |
| M r | 368.17 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 150 |
| a, b, c (Å) | 13.2246 (10), 10.3040 (8), 11.7402 (9) |
| β (°) | 101.703 (1) |
| V (Å3) | 1566.5 (2) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.99 |
| Crystal size (mm) | 0.22 × 0.20 × 0.02 |
| Data collection | |
| Diffractometer | Bruker SMART APEXII |
| Absorption correction | Multi-scan (SADABS; Bruker, 2008 ▸) |
| T min, T max | 0.812, 0.981 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 14616, 3409, 2812 |
| R int | 0.026 |
| (sin θ/λ)max (Å−1) | 0.638 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.027, 0.073, 1.03 |
| No. of reflections | 3409 |
| No. of parameters | 281 |
| H-atom treatment | All H-atom parameters refined |
| Δρmax, Δρmin (e Å−3) | 0.37, −0.23 |