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链状聚[[[三水合铕(III)]-μ-(1H-苯并咪唑-5,6-二羧酸根-κO:O)-μ-(1H,3H-苯并咪唑-3-鎓-5,6-二羧酸根-κO:O,O)]二水合物]

catena-Poly[[[triaqua-europium(III)]-μ-(1H-benzimidazole-5,6-dicarboxyl-ato-κO:O)-μ-(1H,3H-benzimidazol-3-ium-5,6-dicarboxyl-ato-κO:O,O)] dihydrate].

作者信息

Chen Xiao-Ye, Huo Shu-Min, Lin Jing-Jun, Cai Xia, Zeng Rong-Hua

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):m1294-5. doi: 10.1107/S1600536811033496. Epub 2011 Aug 27.

Abstract

In the title one-dimensional coordination polymer, {[Eu(C(9)H(4)N(2)O(4))(C(9)H(5)N(2)O(4))(H(2)O)(3)]·2H(2)O}(n), one of the 1H-benzimidazole-5,6-dicarboxyl-ate (Hbdc) ligands is protonated at the imidazole group (H(2)bdc). The Eu(III) ion is eight-coordinated by two O atoms from two Hbdc ligands, three O atoms from two H(2)bdc ligands and three water mol-ecules, showing a distorted square-anti-prismatic geometry. The Eu(III) ions are bridged by the carboxyl-ate groups of the Hbdc and H(2)bdc ligands, forming a chain along [110], with an Eu⋯Eu separation of 5.4594 (3) Å. These chains are further connected by inter-molecular O-H⋯O, N-H⋯O and N-H⋯N hydrogen bonds, as well as π-π inter-actions between the imidazole and benzene rings [centroid-centroid distances = 3.558 (3), 3.906 (2), 3.397 (3), 3.796 (2) and 3.898 (2) Å], into a three-dimensional supra-molecular network.

摘要

在标题中的一维配位聚合物{[Eu(C₉H₄N₂O₄)(C₉H₅N₂O₄)(H₂O)₃]·2H₂O}ₙ中,1H-苯并咪唑-5,6-二羧酸酯(Hbdc)配体之一在咪唑基团处质子化(H₂bdc)。Eu(III)离子由两个Hbdc配体的两个O原子、两个H₂bdc配体的三个O原子和三个水分子八配位,呈现出扭曲的四方反棱柱几何构型。Eu(III)离子由Hbdc和H₂bdc配体的羧酸酯基团桥连,沿[110]方向形成一条链,Eu⋯Eu间距为5.4594 (3) Å。这些链通过分子间的O-H⋯O、N-H⋯O和N-H⋯N氢键以及咪唑环和苯环之间的π-π相互作用[质心-质心距离 = 3.558 (3)、3.906 (2)、3.397 (3)、3.796 (2)和3.898 (2) Å]进一步连接成三维超分子网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7ea/3200846/27fd216bd1cd/e-67-m1294-fig1.jpg

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