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一种潜在的分子铁电材料:聚[[双(1-氮杂-4-氮鎓双环[2.2.2]辛烷)二-μ3-氯-四-μ2-氯-二氯化三镉(II)]]二水合物。

A potential molecular ferroelectric material: poly[[bis(1-aza-4-azoniabicyclo[2.2.2]octane)di-μ3-chlorido-tetra-μ2-chlorido-dichloridotricadmium(II)] dihydrate].

作者信息

Zhou Qin Qin, Jin Lei, Liao Wei Qiang, Zhang Yi

机构信息

Ordered Matter Science Research Center, Southeast University, Nanjing 211189, People's Republic of China.

出版信息

Acta Crystallogr C. 2013 Mar;69(Pt 3):237-40. doi: 10.1107/S0108270113003892. Epub 2013 Feb 16.

Abstract

The title compound, {[Cd3(C6H13N2)2Cl8]·2H2O}n, consists of pendant protonated cationic diamine ligands bonded to an anionic one-dimensional coordination polymer chloridocadmate scaffold. Each coordination chain features two kinds of Cd(II) centre, each with distorted octahedral coordination geometry. One Cd(II) cation lies on a centre of inversion and is coordinated by six bridging chloride ligands, while the other is coordinated by four bridging chloride ligands, one terminal chloride ligand and a 1-aza-4-azoniabicyclo[2.2.2]octane aza N atom. This gives a reversible corner-sharing half-cubic linear polymer that lies along the crystallographic a direction. The chains interact through hydrogen bonding with solvent water, with each water molecule accepting one N-H...O interaction from a cation and donating to two O-H...Cl interactions with anionic chains, thus linking three separate chains and completing the packing structure.

摘要

标题化合物{[Cd₃(C₆H₁₃N₂)₂Cl₈]·2H₂O}ₙ由与阴离子一维配位聚合物氯镉酸盐支架相连的悬垂质子化阳离子二胺配体组成。每个配位链具有两种Cd(II)中心,每个中心具有扭曲的八面体配位几何结构。一个Cd(II)阳离子位于对称中心,由六个桥连氯配体配位,而另一个由四个桥连氯配体、一个端基氯配体和一个1-氮杂-4-氮鎓双环[2.2.2]辛烷氮原子配位。这形成了一个沿晶体学a方向的可逆角共享半立方线性聚合物。这些链通过与溶剂水的氢键相互作用,每个水分子接受来自一个阳离子的一个N-H...O相互作用,并向与阴离子链的两个O-H...Cl相互作用供体,从而连接三条独立的链并完成堆积结构。

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