Table 1.
Crystal data and structure refinement parameters for Fe1 and Ni1.
| Fe1 | Ni1 | |
|---|---|---|
| Empirical formula | C15H14ClF3FeN3O3S | C15H17N3NiO4S |
| Formula weight | 464.65 | 394.08 |
| Crystal system | Triclinic | Triclinic |
| Space group | P-1 | P-1 |
| a (Å) | 8.1510 (6) | 4.8494 (6) |
| b (Å) | 9.2058 (7) | 11.8570 (16) |
| c (Å) | 13.3198 (10) | 15.331 (2) |
| α (°) | 85.271 (3) | 106.763 (6) |
| β (°) | 74.269 (4) | 96.289 (5) |
| γ (°) | 80.017 (3) | 99.336 (6) |
| V (Å3) | 946.81 (12) | 821.42 (19) |
| Z | 2 | 2 |
| Diffractometer | BRUKER D8-QUEST | |
| Temperature (K) | 296 | |
| Dc (g cm−3) | 1.630 | 1.593 |
| μ (mm−1) | 1.10 | 1.33 |
| θ range (°) | 3.2-26.4 | 3.5-26.5 |
| Measured refls. | 17755 | 17602 |
| Independent refls. | 3844 | 3147 |
| Rint | 0.040 | 0.068 |
| S | 1.13 | 1.12 |
| R1/wR2 | 0.050/0.103 | 0.081/0.173 |
| Δρmax/Δρmin (eÅ−3) | 0.35/-0.33 | 0.58/-0.55 |