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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >(μ2-Adipato-κ4O,O′:O′′,O′′′)bis-[aqua-(benzene-1,2-di-amine-κ2N,N′)-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis
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(μ2-Adipato-κ4O,O′:O′′,O′′′)bis-[aqua-(benzene-1,2-di-amine-κ2N,N′)-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis

机译:(μ2-己二酮-κ4O,O':O'',O''')双-[水-(苯1,2-二胺-κ2N,N')-氯化镉]的晶体结构和Hirshfeld表面分析

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摘要

The full mol-ecule of the binuclear title compound, [Cd2Cl2(C6H8O4)(C6H8N2)2(H2O)2], is generated by the application of a centre of inversion located at the middle of the central CH2—CH2 bond of the adipate dianion; the latter chelates a CdII atom at each end. Along with two carboxyl-ate-O atoms, the CdII ion is coordinated by the two N atoms of the chelating benzene-1,2-di-amine ligand, a Cl? anion and an aqua ligand to define a distorted octa-hedral CdClN2O3 coordination geometry with the monodentate ligands being mutually cis. The disparity in the Cd—N bond lengths is related to the relative trans effect exerted by the Cd—O bonds formed by the carboxyl-ate-O and aqua-O atoms. The packing features water-O—H?O(carboxyl-ate) and benzene-1,2-di-amine-N—H?Cl hydrogen bonds, leading to layers that stack along the a-axis direction. The lack of directional inter-actions between the layers is confirmed by a Hirshfeld surface analysis.
机译:双核标题化合物[Cd2Cl2(C6H8O4)(C6H8N2)2(H2O)2]的完整分子结构是通过在己二酸酯的中心CH2-CH2键中间使用转化中心产生的二价阴离子后者在每个末端螯合一个CdII原子。与两个羧基-O原子一起,CdII离子由螯合的苯-1,2-二胺配体Cl 2的两个N原子配位。阴离子和水配体定义扭曲的八面体CdClN2O3配位几何,单齿配体相互顺式。 Cd-N键长度的差异与由羧基-O-原子和aqua-O原子形成的Cd-O键所产生的相对反式作用有关。该填料具有水-OH-OH(羧酸盐)和苯-1,2-二胺-NH-Cl的氢键,从而导致各层沿a轴方向堆叠。通过Hirshfeld表面分析证实了层之间缺乏方向性相互作用。

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