Table 1.
Crystal data and details of data collection for Cu(L1)Cl·1.775H2O.
| Compound | Cu(L1)Cl·1.775H2O |
|---|---|
| empirical formula | C24H28.6ClCuN6O5.78S |
| fw | 624.58 |
| space group | triclinic P |
| a, Å | 8.2906(6) |
| b, Å | 15.1634(13) |
| c, Å | 43.244(4) |
| β, ° | 94.026(3) |
| V [Å3] | 5422.9(8) |
| Z | 8 |
| λ [Å] | 0.71073 |
| ρcalcd, g cm−3 | 1.530 |
| cryst size, mm3 | 0.12 × 0.08 × 0.03 |
| T [K] | 110(2) |
| µ, mm−1 | 1.031 |
| R1a | 0.0968 |
| wR2b | 0.2099 |
| GOFc | 1.084 |
a R1 = ∑||Fo| − |Fc||/∑|Fo|. b wR2 = {∑[w(Fo2 − Fc2)2]/∑[w(Fo2)2]}1/2. c GOF = {∑[w(Fo2 − Fc2)2]/(n − p)}1/2, where n is the number of reflections and p is the total number of parameters refined.