Wang Jian-Ge, Qin Jian-Hua, Hu Pu-Zhou
College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 19;65(Pt 4):m415. doi: 10.1107/S1600536809008708.
In the title compound, {Cu(C(5)H(4)N(4)S(4))(2)(C(2)H(3)N)(2)(2)·C(2)H(3)N}(n), the Cu(II) atom occupies a crystallographic inversion centre and is six-coordinated by six N atoms of four symmetry-related 2,2'-(methyl-enedithio)bis-(1,3,4-thia-diazole) (L) ligands and two acetonitrile mol-ecules in a slightly distorted octa-hedral geometry. The ligand L adopts an N:N'-bidentate bridging mode in a trans configuration, bridging the Cu atoms via translation symmetry, forming a two-dimensional layer-like structure. The perchlorate ions serve as acceptors for inter-molecular C-H⋯O hydrogen bonds, which link the layers into a three-dimensional network. The ClO(4) (-) anion is disordered with an occupation ratio of 0.658:0.342.
在标题化合物{Cu(C₅H₄N₄S₄)₂(C₂H₃N)₂₂·C₂H₃N}ₙ中，Cu(II)原子位于晶体学反演中心，由四个对称相关的2,2'-(亚甲基二硫代)双-(1,3,4-噻二唑)(L)配体的六个N原子和两个乙腈分子以稍微扭曲的八面体几何构型六配位。配体L以反式构型采用N:N'-双齿桥连模式，通过平移对称性桥连Cu原子，形成二维层状结构。高氯酸根离子作为分子间C-H⋯O氢键的受体，将各层连接成三维网络。ClO₄⁻阴离子无序，占有率为0.658:0.342。
