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二-μ-水合双-[水合-(5-羧基-1H-1,2,3-三唑-4-羧酸根-κ(2)N(3),O(4))锂]

Di-μ-aqua-bis-[aqua-(5-carboxyl-ato-1H-1,2,3-triazole-4-carb-oxy-lic acid-κ(2) N (3),O (4))lithium].

作者信息

Starosta Wojciech, Leciejewicz Janusz

机构信息

Institute of Nuclear Chemistry and Technology, ul.Dorodna 16, 03-195 Warszawa, Poland.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Aug 23;69(Pt 9):m515-6. doi: 10.1107/S1600536813023167. eCollection 2013.

Abstract

The crystal structure of the title compound, [Li2(C4H2N3O4)2(H2O)4], contains centrosymmetric dinuclear mol-ecules in which two Li(I) ions are bridged by two water O atoms. The metal ion is coordinated by one N,O-bidentate ligand and three water O atoms (one of them is symmetry generated), with one of the bridging water O atoms in the apical position of a distorted square pyramid. The carboxyl-ate group that participates in coordination to the metal ion remains protonated; the other is deprotonated and coordination inactive. An intra-molecular O-H⋯O hydrogen bond between carboxyl-ate groups is observed. In the crystal, dimers are linked by O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds, generating a three-dimensional network.

摘要

标题化合物[Li₂(C₄H₂N₃O₄)₂(H₂O)₄]的晶体结构包含中心对称的双核分子,其中两个Li(I)离子由两个水分子的O原子桥连。金属离子由一个N,O-双齿配体和三个水分子的O原子(其中一个是通过对称操作产生的)配位,其中一个桥连水分子的O原子处于扭曲四方锥的顶端位置。参与与金属离子配位的羧酸根基团保持质子化状态;另一个则去质子化且不参与配位。观察到羧酸根基团之间存在分子内O-H⋯O氢键。在晶体中,二聚体通过O-H⋯O、O-H⋯N和N-H⋯O氢键相连,形成三维网络结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/34f4/3884415/abdf06b9593a/e-69-0m515-fig1.jpg

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