Arun Kumar K, Dayalan A, Sethusankar K
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 3;65(Pt 11):m1300-1. doi: 10.1107/S1600536809038422.
In the title complex, [CoCl(C(12)H(8)N(2))(2)(H(2)O)]Cl·2.5H(2)O, the Co(II) ion is coordinated by four N atoms of two bis-chelating 1,10-phenanthroline (phen) ligands, one water mol-ecule and a chloride ligand in a distorted octa-hedral environment. The dihedral angle between the two phen ligands is 84.21 (3)°. In the crystal structure, complex mol-ecules and chloride ions are linked into centrosymmetric four-component clusters by inter-molecular O-H⋯Cl hydrogen bonds. Of the 2.5 solvent water mol-ecules in the asymmetric unit, two were refined as disordered over two sites with fixed occupancies of ratios 0.50:0.50 and 0.60:0.40, while another was refined with half occupancy.
在标题配合物[CoCl(C₁₂H₈N₂)₂(H₂O)]Cl·2.5H₂O中,Co(II)离子在扭曲的八面体环境中由两个双螯合1,10 - 菲咯啉(phen)配体的四个N原子、一个水分子和一个氯离子配体配位。两个phen配体之间的二面角为84.21 (3)°。在晶体结构中,配合物分子和氯离子通过分子间O - H⋯Cl氢键连接成中心对称的四组分簇。在不对称单元中的2.5个溶剂水分子中,两个在两个位置上无序精修,占有率固定比例为0.50:0.50和0.60:0.40,而另一个以半占有率精修。