Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [CuBr(C5H7N3S2)4]Br |
| M r | 916.38 |
| Crystal system, space group | Tetragonal, P4/n |
| Temperature (K) | 293 |
| a, c (Å) | 12.69368 (9), 11.35879 (13) |
| V (Å3) | 1830.24 (3) |
| Z | 2 |
| Radiation type | Cu Kα |
| μ (mm−1) | 7.95 |
| Crystal size (mm) | 0.12 × 0.08 × 0.03 |
| Data collection | |
| Diffractometer | XtaLAB Synergy, Single source at home/near, HyPix3000 |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2020 ▸) |
| T min, T max | 0.626, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 18450, 1746, 1597 |
| R int | 0.036 |
| (sin θ/λ)max (Å−1) | 0.609 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.025, 0.065, 1.05 |
| No. of reflections | 1746 |
| No. of parameters | 118 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.26, −0.28 |