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二水合十二烷酸-(1,4,8,11-四氮杂环十四烷-κN,N,N,N)铜(II)

Diaqua-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κN,N,N,N)copper(II) didodeca-noate dihydrate.

作者信息

Ahmad Tajidi Nur Syamimi, Abdullah Norbani, Arifin Zainudin

机构信息

Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):m588-9. doi: 10.1107/S1600536811012773. Epub 2011 Apr 13.

Abstract

The title compound, [Cu(C(10)H(24)N(4))(H(2)O)(2)]CH(3)(CH(2))(10)CO(2)·2H(2)O, consists of one cationic copper(II) complex, two dodeca-noate anions and two water solvent mol-ecules. The Cu(II) atom is located on an inversion center and is chelated by the four aza N atoms of the neutral 1,4,8,11-tetra-aza-cyclo-tetra-decane (cyclam) ligand and by two water mol-ecules in axial positions, giving an octa-hedral coordination geometry, distorted as a consequence of the Jahn-Teller effect. The uncoordinated water mol-ecules link the complex cations and the dodeca-noate counter-ions through O-H⋯O hydrogen bonding, forming a layer structure parallel to (001). Inter-molecular N-H⋯O inter-actions also occur.

摘要

标题化合物[Cu(C₁₀H₂₄N₄)(H₂O)₂][CH₃(CH₂)₁₀CO₂]₂·2H₂O由一个阳离子铜(II)配合物、两个十二烷酸根阴离子和两个水分子溶剂分子组成。铜(II)原子位于一个对称中心上,由中性的1,4,8,11-四氮杂环十四烷(环胺)配体的四个氮原子螯合,并在轴向位置由两个水分子配位,形成八面体配位几何构型,由于 Jahn-Teller 效应而发生畸变。未配位的水分子通过O-H⋯O氢键连接配合物阳离子和十二烷酸根抗衡离子,形成平行于(001)的层状结构。分子间还存在N-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f0/3089101/96cf77728060/e-67-0m588-fig1.jpg

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