[Y6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O的晶体结构。

IF 0.9 Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-26 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814025434
François Le Natur, Guillaume Calvez, Olivier Guillou, Carole Daiguebonne, Kevin Bernot
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引用次数: 2

摘要

该化合物的晶体结构(学名:octa-μ3-羟基-μ6-氧化-hexa-kis-[四水钇(III)]八碘八水合物)的特征是存在中心对称的分子实体[Y6(μ6-O)(μ3-OH)8(H2O)24](8+),其中6个Y(3+)阳离子以八面体排列在阳离子配合物中心的一个μ6-O原子周围。Y6八面体的每一个面都被一个μ3-OH基团以扭曲立方体的形式覆盖。在六核实体中,Y(3+)阳离子由中心的μ6-O原子、四个μ3-OH和四个水分子的O原子配位。金属离子的配位球是一个带帽的方形反棱镜。晶体排列与Ln = La-Nd, Eu-Tb, Dy的正交菱形[Ln 6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O结构非常相似,只是该化合物表现出轻微的单斜畸变。阳离子配合物与晶格水分子的接近形成了中等强度的三维氢键网络。
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 [Y6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O.

The crystal structure of the title compound {systematic name: octa-μ3-hydroxido-μ6-oxido-hexa-kis-[tetra-aqua-yttrium(III)] octa-iodide octa-hydrate}, is characterized by the presence of the centrosymmetric mol-ecular entity [Y6(μ6-O)(μ3-OH)8(H2O)24](8+), in which the six Y(3+) cations are arranged octa-hedrally around a μ6-O atom at the centre of the cationic complex. Each of the eight faces of the Y6 octa-hedron is capped by an μ3-OH group in the form of a distorted cube. In the hexa-nuclear entity, the Y(3+) cations are coordinated by the central μ6-O atom, the O atoms of four μ3-OH and of four water mol-ecules. The resulting coordination sphere of the metal ions is a capped square-anti-prism. The crystal packing is quite similar to that of the ortho-rhom-bic [Ln 6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O structures with Ln = La-Nd, Eu-Tb, Dy, except that the title compound exhibits a slight monoclinic distortion. The proximity of the cationic complexes and the lattice water mol-ecules leads to the formation of a three-dimensional hydrogen-bonded network of medium strength.

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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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