Yang Xiu Hong, Yang Ming Xing, Chen Li Juan, Guo Jing, Lin Shen
College of Chemistry and Chemical Engineering, Fujian Normal University, Fuzhou, Fujian 350007, People's Republic of China.
Acta Crystallogr C Struct Chem. 2015 May;71(Pt 5):369-73. doi: 10.1107/S2053229615005823. Epub 2015 Apr 9.
The title compound, [Cd3(C8H10O4)3(C12H9N3)2(H2O)2]n or [Cd3(chdc)3(4-PyBIm)2(H2O)2]n, was synthesized hydrothermally from the reaction of Cd(CH3COO)2·2H2O with 2-(pyridin-4-yl)-1H-benzimidazole (4-PyBIm) and cyclohexane-1,4-dicarboxylic acid (1,4-chdcH2). The asymmetric unit consists of one and a half Cd(II) cations, one 4-PyBIm ligand, one and a half 1,4-chdc(2-) ligands and one coordinated water molecule. The central Cd(II) cation, located on an inversion centre, is coordinated by six carboxylate O atoms from six 1,4-chdc(2-) ligands to complete an elongated octahedral coordination geometry. The two terminal rotationally symmetric Cd(II) cations each exhibits a distorted pentagonal-bipyramidal geometry, coordinated by one N atom from 4-PyBIm, five O atoms from three 1,4-chdc(2-) ligands and one O atom from an aqua ligand. The 1,4-chdc(2-) ligands possess two conformations, i.e. e,e-trans-chdc(2-) and e,a-cis-chdc(2-). The cis-1,4-chdc(2-) ligands bridge the Cd(II) cations to form a trinuclear {Cd3}-based chain along the b axis, while the trans-1,4-chdc(2-) ligands further link adjacent one-dimensional chains to construct an interesting two-dimensional network.
标题化合物[Cd₃(C₈H₁₀O₄)₃(C₁₂H₉N₃)₂(H₂O)₂]ₙ或[Cd₃(chdc)₃(4 - PyBIm)₂(H₂O)₂]ₙ是通过Cd(CH₃COO)₂·2H₂O与2-(吡啶 - 4 - 基)-1H - 苯并咪唑(4 - PyBIm)和环己烷 - 1,4 - 二羧酸(1,4 - chdcH₂)水热反应合成的。不对称单元由一个半Cd(II)阳离子、一个4 - PyBIm配体、一个半1,4 - chdc(2 - )配体和一个配位水分子组成。位于对称中心的中心Cd(II)阳离子由来自六个1,4 - chdc(2 - )配体的六个羧酸根O原子配位，形成一个拉长的八面体配位几何构型。两个末端旋转对称的Cd(II)阳离子各自呈现扭曲的五角双锥几何构型，由来自4 - PyBIm的一个N原子、来自三个1,4 - chdc(2 - )配体的五个O原子和来自一个水合配体的一个O原子配位。1,4 - chdc(2 - )配体具有两种构象，即e,e - 反式 - chdc(2 - )和e,a - 顺式 - chdc(2 - )。顺式1,4 - chdc(2 - )配体桥连Cd(II)阳离子，沿b轴形成基于{Cd₃}的三核链，而反式1,4 - chdc(2 - )配体进一步连接相邻的一维链，构建出一个有趣的二维网络。
