水晶的《di -μ-chloro-acetato-hexa-kis (di-methyl-formamide) -tetra-kis(μ个,2-dioxido-benzene-1-carboximidato) tetra-manganese (III) disodium dimethyl-formamide disolvate .

IF 0.9 Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-15 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814024441
Connor I Daly, Matthias Zeller, Curtis M Zaleski
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引用次数: 2

摘要

本文报道了标题化合物[Na2Mn4(C2H2ClO2)2(C7H4NO3)4(C3H7NO)6]·2C3H7NO或Na2(O2CCH2Cl)2[12-MCMn(III) N(shi)-4](DMF)6·2DMF的合成、晶体结构和FT-IR数据,其中MC为金属冠,shi(3-)为水杨酸-羟肟酸盐,DMF为N,N-二甲基甲酰胺。大环金属冠由一个-[Mn(III)- n - o]4环重复单元组成,金属冠在金属冠平面上下的中心空腔中捕获两个Na(+)离子。每个Na(+)离子是七配位的,通过配位DMF分子或氯乙酸阴离子与两个环状Mn(III)离子桥接。环形锰(III)离子具有四边形畸变八面体几何或畸变方锥体几何。弱的C-H⋯O相互作用,加上纯粹的范德华力,有助于分子的整体堆积。完整分子具有反转对称性,在两组位点上是无序的,占用率为0.8783(7):0.1217(7)。溶剂分子在两组位点上也是无序的,占据比为0.615(5):0.385(5)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Crystal structure of di-μ-chloro-acetato-hexa-kis-(di-methyl-formamide)-tetra-kis-(μ-N,2-dioxido-benzene-1-carboximidato)tetra-manganese(III)disodium dimethyl-formamide disolvate.

The synthesis, crystal structure, and FT-IR data for the title compound, [Na2Mn4(C2H2ClO2)2(C7H4NO3)4(C3H7NO)6]·2C3H7NO or Na2(O2CCH2Cl)2[12-MCMn(III) N(shi)-4](DMF)6·2DMF, where MC is metallacrown, shi(3-) is salicyl-hydroximate, and DMF is N,N-di-methyl-formamide, is reported. The macrocyclic metallacrown consists of an -[Mn(III)-N-O]4- ring repeat unit and the metallacrown captures two Na(+) ions in the central cavity above and below the plane of the metallacrown. Each Na(+) ion is seven-coordinate and is bridged to two ring Mn(III) ions, through either a coordinating DMF mol-ecule or a chloro-acetate anion. The ring Mn(III) ions have either a tetra-gonally distorted octa-hedral geometry or a distorted square-pyramidal geometry. Weak C-H⋯O inter-actions, in addition to pure van der Waals forces, contribute to the overall packing of the mol-ecules. The complete molecule has inversion symmetry and is disordered over two sets of sites with an occupancy ratio of 0.8783 (7):0.1217 (7). The solvent molecule is also disordered over two sets of sites, with an occupancy ratio of 0.615 (5):0.385 (5).

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来源期刊
自引率
33.30%
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0
审稿时长
1.3 months
期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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