Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [Cu(H2O)(C6H3BrNO2)2]2 |
| M r | 967.13 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 296 |
| a, b, c (Å) | 7.5596 (2), 9.7402 (3), 20.5332 (7) |
| β (°) | 94.345 (3) |
| V (Å3) | 1507.56 (8) |
| Z | 2 |
| Radiation type | Mo Kα |
| μ (mm−1) | 6.77 |
| Crystal size (mm) | 0.59 × 0.42 × 0.33 |
| Data collection | |
| Diffractometer | Oxford Diffraction Xcalibur2 diffractometer with Sapphire 3 CCD detector |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku, 2018 ▸) |
| T min, T max | 0.288, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 19205, 2622, 2392 |
| R int | 0.028 |
| (sin θ/λ)max (Å−1) | 0.595 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.050, 0.134, 1.06 |
| No. of reflections | 2622 |
| No. of parameters | 205 |
| No. of restraints | 3 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 1.34, −2.06 |