Research Article
Synthesis, Crystal Structure, and DNA-Binding Studies of a Nickel(II) Complex with the Bis(2-benzimidazolymethyl)amine Ligand
Table 1
Crystallographic data and data collection parameters for the Ni(II) complex.
| | Complex | [Ni(bba)2](pic)2·3MeOH |
| | Molecular formula | C47H36N16NiO17 | | Molecular weight | 1155.63 | | Crystal system | Triclinic | | Space group | P-1 | | a (Å) | 10.4758 (9) | | b (Å) | 16.1097 (13) | | c (Å) | 17.2302 (14) | | α (°) | 107.5590 (10) | | β (°) | 107.5880 (10) | | γ (°) | 96.9150 (10) | | V (Å3) | 2570.1 (4) | | Z | 2 | | (mg m−3) | 1.493 | | Absorption coefficient (mm−1) | 0.467 | | F (000) | 1188 | | Crystal size (mm) | 0.41 × 0.38 × 0.31 | | θ range for data collection (°) | 2.04–25.00 | | h/k/l (max, min) | −12, 12/−16, 19/−20, 20 | | Reflections collected | 18579 | | Independent reflections | 8974 [R(int) = 0.0203] | | Data/restraints/parameters | 8974/6/746 | | Goodness-of-fit on | 1.097 | | Final , indices [σ(I)] | 0.0383, 0.1135 | | , indices (all data) | 0.0466, 0.1194 | | Largest differences peak and hole (eÅ−3) | 0.734 and −0.384 |
|
|
