Table 1. Crystallographic details for the synchrotron data collections and refinements of 1 and 2 .
| 1 | 2 | |
|---|---|---|
| Empirical formula | C10H24Cl2CoN4S2 | C10H24Br2CoN4S2 |
| Formula weight (g mol−1) | 394.28 | 483.18 |
| Crystal size (mm) | ∼0.1 × 0.1 × 0.1 | ∼0.1 × 0.1 × 0.1 |
| Crystal system | Monoclinic | Monoclinic |
| Space group | P21/n | P21/n |
| λ (Å) | 0.2486 | 0.2486 |
| a (Å) | 9.9071 (4) | 9.798 (4) |
| b (Å) | 12.7019 (5) | 12.961 (8) |
| c (Å) | 14.1556 (6) | 14.636 (6) |
| β (°) | 92.824 (2) | 92.363 (2) |
| V (Å3) | 1779.16 (13) | 1856.9 (2) |
| Z | 4 | 4 |
| F(000) | 820 | 964 |
| T (K) | 20 | 20 |
| ρ (g cm−3) | 1.472 | 1.732 |
| μ (mm−1) | 0.094 | 0.275 |
| Tmax, Tmin | 0.9576, 0.9030 | 0.7444, 0.6698 |
| Nmeas, Nuniq | 649992, 68940 | 736910, 38434 |
| Completeness | 100 | 100 |
| R int | 0.074 | 0.083 |
| Resolution (included data) (Å) | 0.4 | 0.4 |
| Rw(F2), [I > 2σ(I)] | 0.031 | 0.014 |
| R(F), R(F2), all data | 0.07, 0.03 | 0.056, 0.029 |
| Goodness of fit | 1.021 | 0.993 |