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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of poly[bis­(ammonium) [bis­(μ4-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate]
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Crystal structure of poly[bis­(ammonium) [bis­(μ4-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate]

机译：聚[双（铵）[双（μ4-苯-1,3,5-三羧基戊基）二嗪酸酯] 1-甲基吡咯烷-2-异二甲酸酯的晶体结构

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摘要

The title three-dimensional metal–organic framework (MOF) compound, {(NH4)2[Zn2(C9H3O6)2]·2C5H9NO}n, features an anionic framework constructed from Zn2+ cations and benzene-1,3,5-tri­carboxyl­ate (BTC) organic anions. Charge balance is achieved by outer sphere ammonium cations formed by degradation of di-n-butyl­amine in the solvothermal synthesis of the compound. Binuclear {Zn2(COO)2} entities act as the framework's secondary building units. Each ZnII atom has a tetrahedral coordination environment with an O4 set of donor atoms. The three-dimensional framework adopts a rutile-type topology and channels are filled in an alternating fashion with ordered and disordered 1-methyl­pyrrolidin-2-one solvent mol­ecules and ammonium cations. The latter are held in the channels via four N—H⋯O hydrogen bonds, including three with the benzene-1,3,5-tri­carboxyl­ate ligands of the anionic framework and one with a 1-methyl­pyrrolidin-2-one solvent mol­ecule.
机译：标题三维金属有机框架（MOF）化合物{（NH4）2 [Zn2（C9H3O6）2]·2C5H9NO} n，具有由Zn2 +阳离子和1,3,5-三羧酸苯酯构成的阴离子骨架（ BTC）有机阴离子。通过化合物的溶剂热合成中二正丁胺的降解形成的外球铵阳离子实现电荷平衡。 Binuclear {Zn2（COO）2}实体充当框架的辅助构建单元。每个ZnII原子都有一个带有O4供体原子的四面体配位环境。三维框架采用金红石型拓扑，通道以有序和无序的1-甲基吡咯烷酮-2-酮溶剂分子和铵阳离子交替填充。后者通过四个N-H = O氢键保持在通道中，包括三个带有阴离子骨架的苯-1,3,5-三羧酸酯配体，另一个带有1-甲基吡咯烷二-2-酮溶剂分子。

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