Research Article
Crystal Structure and Cyclic Voltammetric Studies on the Metal Complexes of N-(Dimethylcarbamothioyl)-4-fluorobenzamide
Table 1
Crystal data and structure refinement for NiL2 and CuL2 complexes.
| | Parameters | NiL2 | CuL2 |
| | Empirical formula | C20H20F2NiN4O2S2 | C20H20F2CuN4O2S2 | | Formula weight | 509.23 | 514.06 | | Temperature (K) | 120(2) | 120(2) | | Wavelength | 0.71073 | 0.71073 | | Crystal system | Monoclinic | Monoclinic | | Space group | P21/c | P21/c | | (Å) | 11.339(7) | 11.3504(16) | | (Å) | 8.255(5) | 8.5070(12) | | (Å) | 22.051(17) | 22.164(3) | | β (°) | 103.934(18) | 103.828(3) | | Volume (Å3) | 2003(2) | 2078.1(5) | | 4 | 4 | | Calculated density (mg/m3) | 1.689 | 1.643 | | Absorption coefficient (mm−1) | 1.223 | 1.296 | | (000) | 1.048 | 1052 | | Crystal size (mm3) | 0.47 × 0.43 × 0.02 | 0.42 × 0.33 × 0.23 | | Radiation | MoKα | MoKα | | Θ range for data collection | 1.85 to 27.87° | 1.85 to 27.88° | | Index ranges |
|
| | Reflections collected | 17259 | 17633 | | Independent reflections | | | | Data/parameters | 4776/284 | 4953/284 | | Goodness-of-fit on | 0.947 | 1.057 | | Final indexes (I ≥ 2σ(I)) | R1 = 0.0554, wR2 = 0.1186 | R1 = 0.0311, wR2 = 0.0792 | | Final R indexes (all data) | R1 = 0.0864, wR2 = 0.1285 | R1 = 0.0378, wR2 = 0.0829 | | Largest difference peak and hole (e·Å−3) | 0.926/−0.892 | 0.461/−0.256 |
|
|
