Song Jing-Jing, Zhang Kou-Lin, Ng Seik Weng
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 10;66(Pt 12):m1529. doi: 10.1107/S1600536810045009.
In the polymeric title compound, {[Cd(C(8)H(12)N(6))(H(2)O)(4)]SO(4)}(n), the Cd(II) atom is located on an inversion center and coordinated by four water mol-ecules and two 1,4-bis-(1,2,4-triazol-yl)butane ligands in a distorted CdO(4)N(2) octa-hedral geometry. The 1,4-bis-(1,2,4-triazol-yl)butane ligand is centrosymmetric, the mid-point of the central C-C bond being located on an inversion center. It links adjacent water-coordinated metal atoms into polymeric chains running along the c axis. Adjacent chains are linked by O-H⋯N hydrogen bonds. The S atom of the sulfate anion is located on a twofold rotation axis, thus the sulfate anion is equally disordered over two sites. The sulfate anion links with the polymeric chains via O-H⋯O hydrogen bonds, generating a three-dimensional supra-molecular network.
在聚合标题化合物{[Cd(C₈H₁₂N₆)(H₂O)₄]SO₄}ₙ中，Cd(II)原子位于一个对称中心上，由四个水分子和两个1,4-双（1,2,4-三唑基）丁烷配体配位，呈扭曲的CdO₄N₂八面体几何构型。1,4-双（1,2,4-三唑基）丁烷配体是中心对称的，中心C-C键的中点位于一个对称中心上。它将相邻的与水配位的金属原子连接成沿c轴延伸的聚合物链。相邻的链通过O-H⋯N氢键相连。硫酸根阴离子的S原子位于一个二重旋转轴上，因此硫酸根阴离子在两个位置上无序分布。硫酸根阴离子通过O-H⋯O氢键与聚合物链相连，形成一个三维超分子网络。
