Table 5. Experimental details.
| Crystal data | |
| Chemical formula | [Mn(C3H7NO)4(H2O)2][Cu5(C7H4NO3)4]·C3H7NO |
| M r | 1374.60 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 100 |
| a, b, c (Å) | 19.0669 (9), 14.2943 (6), 19.3450 (8) |
| β (°) | 95.1476 (18) |
| V (Å3) | 5251.2 (4) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 2.30 |
| Crystal size (mm) | 0.45 × 0.41 × 0.25 |
| Data collection | |
| Diffractometer | Bruker AXS D8 Quest CMOS diffractometer |
| Absorption correction | Multi-scan (SADABS2016/2; Krause et al., 2015 ▸) |
| T min, T max | 0.582, 0.748 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 87027, 28700, 18767 |
| R int | 0.043 |
| (sin θ/λ)max (Å−1) | 0.879 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.065, 0.143, 1.07 |
| No. of reflections | 28700 |
| No. of parameters | 1153 |
| No. of restraints | 1810 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 2.44, −2.18 |