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聚[[{μ2 - 1,4 - 双[(1H - 咪唑 - 1 - 基)甲基]苯}[μ6 - 5 - (4 - 羧基苯氧基)间苯二甲酸根合] - μ3 - 羟基 - 二钴(II)]0.25水合物的晶体结构

Crystal structure of poly[[{μ2-1,4-bis[(1H-imid-azol-1-yl)methyl]benzene}[μ6-5-(4-carboxylatophenoxy)isophthalato]-μ3-hydroxido-dicobalt(II)] 0.25-hydrate].

作者信息

Li Yaping, Sun Dajun, Ming Julia, Han Liying, Su Guanfang

机构信息

Department of Ophthalmology, The Second Hospital of Jilin University, 218 Ziqiang Street, Changchun, 130041, Jilin Province, People's Republic of China.

Department of Vascular Surgery, The China-Japan Union Hospital of Jilin University, 126 Xiantai Street, Changchun, 130033, Jilin Province, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 29;70(Pt 11):m376-7. doi: 10.1107/S1600536814022806. eCollection 2014 Nov 1.

DOI:10.1107/S1600536814022806
PMID:25484783
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4257313/
Abstract

The title coordination polymer, {[Co2(C15H7O7)(OH)(C14H14N4)]·0.25H2O} n , was synthesized under hydro-thermal conditions. The asymmetric unit contains two Co(2+) ions, one L (3-) anion originating from 5-(4-carb-oxy-phen-oxy)isophthalic acid (H3 L), one OH(-) ligand, one 1,4-bis-[(1H-imidazol-l-yl)meth-yl]benzene (bix) ligand and one disordered lattice water mol-ecule (occupancy 0.25). The two Co(2+) ions have different environments. One has an octa-hedral O4N2 coordin-ation sphere, defined by four O atoms from three carboxyl-ate groups and one OH(-) ligand, and two N atoms from two symmetry-related bix ligands. The other has a trigonal-bipyramidal O5 coordination sphere resulting from three carboxyl-ate groups and two OH(-) ligands. The dihedral angles between the two benzene rings in the L (3-) ligand and between the benzene ring and the two imidazole rings in the bix ligand are 67.05 (15), 75.27 (17) and 82.05 (17)°, respectively. Four neighbouring Co(2+) ions are linked by six carboxyl-ate groups and two μ 3-OH ligands, forming a butterfly-shaped secondary building unit (SBU). These SBUs are connected by L (3-) anions into layers parallel to (1-10). Adjacent layers are cross-linked by the bix ligands, forming a three-dimensional framework that has a bimodal (3,8)-connected tfz-d topology. The disordered lattice water mol-ecule is located in the voids of the framework and has O⋯O and O⋯N contacts of 2.81 (2) and 2.95 (2) Å, suggesting medium-strength hydrogen bonds. The title compound may be a good candidate for artificial eye lenses.

摘要

标题配合物{[Co₂(C₁₅H₇O₇)(OH)(C₁₄H₁₄N₄)]·0.25H₂O}ₙ是在水热条件下合成的。不对称单元包含两个Co(Ⅱ)离子、一个源自5-(4-羧基苯氧基)间苯二甲酸(H₃L)的L(Ⅲ)阴离子、一个OH⁻配体、一个1,4-双[(1H-咪唑-1-基)甲基]苯(bix)配体和一个无序的晶格水分子(占有率0.25)。两个Co(Ⅱ)离子具有不同的环境。一个具有八面体O₄N₂配位球,由来自三个羧酸根基团的四个O原子和一个OH⁻配体以及来自两个对称相关的bix配体的两个N原子界定。另一个具有由三个羧酸根基团和两个OH⁻配体形成的三角双锥O₅配位球。L(Ⅲ)配体中两个苯环之间以及bix配体中苯环与两个咪唑环之间的二面角分别为67.05(15)°、75.27(17)°和82.05(17)°。四个相邻的Co(Ⅱ)离子通过六个羧酸根基团和两个μ₃-OH配体相连,形成一个蝴蝶形的二级结构单元(SBU)。这些SBU通过L(Ⅲ)阴离子连接成平行于(1-10)的层。相邻层通过bix配体交联,形成具有双峰(3,8)-连接的tfz-d拓扑结构的三维框架。无序的晶格水分子位于框架的空隙中,其O⋯O和O⋯N接触距离分别为2.81(2)和2.95(2)Å,表明存在中等强度的氢键。标题化合物可能是人工晶状体的良好候选物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2043/4257313/c319373579b4/e-70-0m376-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2043/4257313/0148d138a5ac/e-70-0m376-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2043/4257313/ae4456fc0e38/e-70-0m376-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2043/4257313/c319373579b4/e-70-0m376-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2043/4257313/0148d138a5ac/e-70-0m376-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2043/4257313/ae4456fc0e38/e-70-0m376-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2043/4257313/c319373579b4/e-70-0m376-fig3.jpg

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