Experiments were carried out at 100 K using a Rigaku Oxford Diffraction SuperNova diffractometer with an Atlas CCD detector. Absorption was corrected for by multi-scan methods (CrysAlis PRO; Rigaku Oxford Diffraction, 2015 ▸). H atoms were treated by a mixture of independent and constrained refinement.
| 1 | 2 | 3 | 4 | |
|---|---|---|---|---|
| Crystal data | ||||
| Chemical formula | C36H32Cl2CuN8O8·3.3(H2O) | C36H32Cl2CuN8O8·2(CH4O) | C36H32Cl2CuN8O8·2(C2H6O) | C36H32Cl2CuN8O8·2(C3H8O) |
| M r | 898.59 | 903.22 | 931.27 | 959.32 |
| Crystal system, space group | Triclinic, P
|
Triclinic, P
|
Triclinic, P
|
Triclinic, P
|
| a, b, c (Å) | 8.8398 (6), 9.9196 (8), 12.8239 (10) | 9.3557 (7), 9.838 (1), 13.0238 (10) | 9.3377 (3), 9.7888 (4), 12.9870 (6) | 9.1329 (6), 10.0787 (7), 13.0825 (8) |
| α, β, γ (°) | 97.633 (6), 93.948 (6), 107.385 (7) | 75.710 (8), 89.649 (6), 69.657 (8) | 103.114 (5), 90.344 (5), 109.408 (4) | 103.496 (6), 94.562 (5), 105.229 (6) |
| V (Å3) | 1056.59 (14) | 1084.99 (17) | 1086.13 (8) | 1117.04 (13) |
| Z | 1 | 1 | 1 | 1 |
| Radiation type | Mo Kα | Mo Kα | Mo Kα | Mo Kα |
| μ (mm−1) | 0.71 | 0.69 | 0.69 | 0.67 |
| Crystal size (mm) | 0.25 × 0.16 × 0.15 | 0.20 × 0.17 × 0.13 | 0.17 × 0.12 × 0.10 | 0.21 × 0.15 × 0.11 |
| Data collection | ||||
| Tmin, Tmax | 0.838, 1.000 | 0.896, 1.000 | 0.890, 1.000 | 0.803, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 7899, 3692, 3323 | 15902, 3791, 3516 | 12262, 3812, 3397 | 10056, 4829, 4106 |
| R int | 0.026 | 0.035 | 0.027 | 0.025 |
| (sin θ/λ)max (Å−1) | 0.595 | 0.595 | 0.595 | 0.639 |
| Refinement | ||||
| R[F2 > 2σ(F2)], wR(F2), S | 0.057, 0.167, 1.11 | 0.065, 0.172, 1.05 | 0.066, 0.176, 1.07 | 0.036, 0.094, 1.07 |
| No. of reflections | 3692 | 3791 | 3812 | 4829 |
| No. of parameters | 283 | 334 | 365 | 296 |
| No. of restraints | 19 | 82 | 423 | 3 |
| Δρmax, Δρmin (e Å−3) | 1.52, −0.48 | 1.39, −0.96 | 1.12, −1.33 | 0.38, −0.46 |