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链状聚[[四水合镉]-μ-5,5'-(1,4-亚苯基)二(四唑-2-基)-κ(2) N(2):N(2')]

catena-Poly[[tetra-aqua-cadmium]-μ-5,5'-(1,4-phenyl-ene)di(tetra-zol-2-ido)-κ(2) N (2):N (2')].

作者信息

Dang Qinqin, Caiyun Han

机构信息

School of Chemistry & Material Science, Shanxi Normal University, Linfen 041004, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):m283. doi: 10.1107/S1600536813010441. Print 2013 May 1.

DOI:10.1107/S1600536813010441
PMID:23723784
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3647818/
Abstract

In the title compound, [Cd(C8H4N8)(H2O)4] n , 5,5'-(1,4-phenyl-ene)di(tetra-zol-2-ide) (L) ligands bridge Cd(II) atoms into polymeric chains along [201]. The Cd(II) atom is situated on an inversion centre and is coordinated by two N atoms from two L ligands and by four water O atoms in a distorted octa-hedral geometry. In the L ligand, the benzene ring resides on an inversion centre and the tetra-zole rings are twisted from its plane by 22.3 (1)°. An extensive hydrogen-bonding network formed by classical O-H⋯N and O-H⋯O inter-actions consolidates the crystal packing, linking the poymeric chains into a three-dimensional structure.

摘要

在标题化合物[Cd(C₈H₄N₈)(H₂O)₄]ₙ中,5,5'-(1,4-亚苯基)二(四唑-2-基)(L)配体将Cd(II)原子沿[201]方向桥连形成聚合物链。Cd(II)原子位于一个对称中心上,由来自两个L配体的两个N原子和四个水分子的O原子配位,呈扭曲的八面体几何构型。在L配体中,苯环位于一个对称中心上,四唑环与苯环平面扭转了22.3 (1)°。由经典的O—H⋯N和O—H⋯O相互作用形成的广泛氢键网络巩固了晶体堆积,将聚合物链连接成三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5cf0/3647818/32bd5fa65ca6/e-69-0m283-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5cf0/3647818/32bd5fa65ca6/e-69-0m283-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5cf0/3647818/32bd5fa65ca6/e-69-0m283-fig1.jpg

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