Li Jun-Hua, Nie Jing-Jing, Xu Duan-Jun
Department of Chemistry, Zhejiang University, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 6;64(Pt 9):m1108-9. doi: 10.1107/S1600536808024215.
The crystal structure of the title compound, [Ni(C(3)H(4)N(2))(6)]Ni(C(3)H(4)N(2))(3)(H(2)O)(3)(2), contains uncoordinated naphthalene-dicarboxyl-ate dianions and two kinds of Ni(II) complex cations, both assuming distorted octa-hedral geometries. One Ni(II) ion is located on an inversion center and is coordinated by six imidazole mol-ecules, while the other Ni(II) ion is located on a twofold rotation axis and is coordinated by three water mol-ecules and three imidazole mol-ecules in a mer-NiN(3)O(3) arrangement. The naphthalene-dicarboxyl-ate dianion links both Ni(II) complex cations via O-H⋯O and N-H⋯O hydrogen bonding, but no π-π stacking is observed between aromatic rings in the crystal structure. One imidazole ligand is equally disordered over two sites about a twofold rotation axis; one N atom and one water O atom have site symmetry 2.
标题化合物[Ni(C₃H₄N₂)₆]Ni(C₃H₄N₂)₃(H₂O)₃₂的晶体结构包含未配位的萘二甲酸根二价阴离子和两种Ni(II)络合阳离子，二者均呈扭曲的八面体几何构型。一个Ni(II)离子位于对称中心，由六个咪唑分子配位，而另一个Ni(II)离子位于二重旋转轴上，以面式-NiN₃O₃排列方式由三个水分子和三个咪唑分子配位。萘二甲酸根二价阴离子通过O-H⋯O和N-H⋯O氢键连接两个Ni(II)络合阳离子，但在晶体结构中芳环之间未观察到π-π堆积。一个咪唑配体围绕二重旋转轴在两个位置上同等无序；一个N原子和一个水O原子具有对称位点2。
