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链状聚[[四水合-[μ(2)-1,4-双-(1,2,4-三唑-1-基)丁烷-κN:N]镉(II)]硫酸盐]

catena-Poly[[tetra-aqua-[μ(2)-1,4-bis-(1,2,4-triazol-1-yl)butane-κN:N]cadmium(II)] sulfate].

作者信息

Song Jing-Jing, Zhang Kou-Lin, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 10;66(Pt 12):m1529. doi: 10.1107/S1600536810045009.

Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eb90/3011647/9b3a9aa7b140/e-66-m1529-fig1.jpg

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