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双(戊烷-1,5-二铵)碘化物三(三碘化物)的准对称结构

The pseudosymmetric structure of bis-(pentane-1,5-diaminium) iodide tris-(triiodide).

作者信息

van Megen Martin, Reiss Guido J

机构信息

Institut für Anorganische Chemie und Strukturchemie, Lehrstuhl II: Material- und Strukturforschung, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1331-2. doi: 10.1107/S1600536812014420. Epub 2012 Apr 6.

Abstract

The asymmetric unit of the title compound, H(3)N(CH(2))(5)NH(3)II(3) or 2C(5)H(16)N(2) (2+)·3I(3) (-)·I(-), consists of two crystallographically independent pentane-1,5-diaminium dications and two triiodide anions in general positions besides two additional triiodide and two iodide anions located on twofold axes. The compound crystallizes in the centrosymmetric monoclinic space group P2/n. The structure refinement was handicapped by the pseudosymmetry (pseudo-centering) of the structure and by twinning. The crystal structure is composed of two alternate layers, which differ in their arrangement of the pentane-1,5-diaminium dications and the iodide/triiodide anions and which are connected via weak to medium-strong N-H⋯I hydrogen bonds, constructing a complex hydrogen-bonded network.

摘要

标题化合物[H₃N(CH₂)₅NH₃]₂I[I₃]₃或2C₅H₁₆N₂²⁺·3I₃⁻·I⁻的不对称单元,除了位于二重轴上的另外两个三碘化物和两个碘化物阴离子外,通常位置上由两个晶体学独立的戊烷-1,5-二铵二价阳离子和两个三碘化物阴离子组成。该化合物结晶于中心对称的单斜空间群P2/n。结构精修受到结构的假对称性(假中心)和孪晶的阻碍。晶体结构由两个交替的层组成,它们在戊烷-1,5-二铵二价阳离子与碘化物/三碘化物阴离子的排列上有所不同,并通过弱至中等强度的N-H⋯I氢键相连,构建了一个复杂的氢键网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4e0a/3344470/8e85a49ce3b5/e-68-o1331-fig1.jpg

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