Table 1.
Crystallographic details of the investigated crystals.
| Identification Code | Complex C1 | Complex C2 |
|---|---|---|
| Empirical formula | C38H34CuN6O7S4 | C38H36CuN8O5S4 |
| Formula weight | 878.49 | 876.53 |
| Temperature/K | 293(2) | 293(2) |
| Crystal system | monoclinic | monoclinic |
| Space group | P21/c | C2/c |
| a/Å | 5.6797(2) | 24.6386(5) |
| b/Å | 42.8168(16) | 9.3411(2) |
| c/Å | 17.2267(5) | 18.5012(4) |
| α/° | 90 | 90 |
| β/° | 92.742(3) | 108.467(2) |
| γ/° | 90 | 90 |
| Volume/Å3 | 4184.5(2) | 4038.82(15) |
| Z | 4 | 4 |
| ρcalcg/cm3 | 1.394 | 1.442 |
| μ/mm−1 | 3.055 | 3.139 |
| F (000) | 1812.0 | 1812.0 |
| Crystal size/mm3 | 0.11× 0.10 × 0.07 | 0.11 × 0.10 × 0.09 |
| Radiation | CuKα (λ = 1.54184) | CuKα (λ = 1.54184) |
| 2Θ range for data collection/° | 8.048 to 141.334 | 7.566 to 140.94 |
| Index ranges | −6 ≤ h ≤ 4, −51 ≤ k ≤ 49, −20 ≤ l ≤ 21 | −29 ≤ h ≤ 26, −11 ≤ k ≤ 5, −22 ≤ l ≤ 21 |
| Reflections collected | 15281 | 7314 |
| Independent reflections | 7828 [Rint = 0.0350, Rsigma = 0.0458] | 3784 [Rint = 0.0351, Rsigma = 0.0344] |
| Data/restraints/parameters | 7828/0/510 | 3784/2/264 |
| Goodness-of-fit on F2 | 1.061 | 1.106 |
| Final R indexes [I ≥ 2σ (I)] | R1 = 0.0784, wR2 = 0.2281 | R1 = 0.0592, wR2 = 0.1521 |
| Final R indexes [all data] | R1 = 0.0894, wR2 = 0.2403 | R1 = 0.0614, wR2 = 0.1547 |
| Largest diff. peak/hole/e Å−3 | 1.19/−1.27 | 0.65/−1.40 |