Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [Cu2Fe(CN)4(C4H3BrN2)2] |
| M r | 605.00 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 296 |
| a, b, c (Å) | 13.6143 (17), 9.3067 (11), 13.2101 (15) |
| β (°) | 92.369 (4) |
| V (Å3) | 1672.3 (3) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 8.17 |
| Crystal size (mm) | 0.2 × 0.1 × 0.05 |
| Data collection | |
| Diffractometer | Bruker SMART |
| Absorption correction | Multi-scan (SADABS; Bruker, 2013 ▸) |
| T min, T max | 0.487, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 8711, 2023, 1799 |
| R int | 0.029 |
| (sin θ/λ)max (Å−1) | 0.661 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.026, 0.063, 1.04 |
| No. of reflections | 2023 |
| No. of parameters | 115 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 1.08, −0.76 |