Table 1.
Crystallographic data for complexes 2a–b.
| (2a) | (2b) | |
|---|---|---|
| Chemical formula | 2(C31H40AlN3OS)·C4H10O | C31H40AlN3OS |
| Formula weight | 1133.52 | 529.70 |
| Crystal system | Triclinic | Triclinic |
| Space group | P-1 (#2) | P-1 (#2) |
| a (Å) | 8.8009 (2) | 12.54209 (18) |
| b (Å) | 13.7366 (4) | 15.8805 (2) |
| c (Å) | 13.9119 (5) | 17.5832 (3) |
| α (°) | 111.716 (3) | 68.5229 (14) |
| β (°) | 93.621 (2) | 89.6375 (12) |
| γ (°) | 91.141 (2) | 73.0413 (13) |
| V (Å3) | 1557.69 (8) | 3097.32 (8) |
| Z | 1 | 4 |
| μ (mm−1) | 0.16 | 0.16 |
| Crystal size (mm) | 0.40 × 0.25 × 0.14 | 0.42 × 0.38 × 0.21 |
| Tmin, Tmax | 0.965, 0.985 | 0.948, 0.974 |
| No. of measured, independent and observed [I > 2σ (I)] reflections | 15662, 5478, 3770 | 54514, 12182, 9655 |
| Rint | 0.049 | 0.056 |
| R[F2 > 2σ(F2)], wR(F2), S | 0.049, 0.136, 1.02 | 0.042, 0.124, 1.08 |
| No. of reflections | 5478 | 12182 |
| No. of parameters | 402 | 679 |
| No. of restraints | 43 | 0 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.32, −0.36 | 0.41, −0.47 |