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三氯化硫鎓(IV)六氯合铀酸盐(V),(SCl)[UCl]的晶体结构的重新精修

Rerefinement of the crystal structure of tri-chlorido-sulfonium-(IV) hexa-chlorido-uranate(V), (SCl)[UCl].

作者信息

Deubner Holger Lars, Ivlev Sergei I, Kraus Florian

机构信息

Anorganische Chemie, Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Strasse 4, 35032 Marburg, Germany.

出版信息

IUCrdata. 2020 Jul 17;5(Pt 7):x200960. doi: 10.1107/S2414314620009608. eCollection 2020 Jul.

DOI:10.1107/S2414314620009608
PMID:36339779
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9462248/
Abstract

Single crystals of tri-chlorido-sulfonium-(IV) hexa-chlorido-uranate(V) were obtained from the reaction of uranium(IV) chloride with an excess of disulfur dichloride and studied by single-crystal X-ray diffraction. In comparison with the structure model reported previously [Sawodny (1983 ▸). , 81-88.], the lattice parameters and fractional atomic coordinates were determined to a much higher precision, leading overall to an improved structure model. The ionic compound contains trigonal-pyramidal (SCl) cations and slightly distorted octa-hedral [UCl] anions. The structure was refined as an inversion twin with a twin ratio of 4.4:1.

摘要

通过四氯化铀与过量的二氯化二硫反应得到了六氯铀酸(V)三氯化锍(IV)单晶,并采用单晶X射线衍射对其进行了研究。与之前报道的结构模型[Sawodny (1983 ▸). , 81 - 88.]相比,晶格参数和原子分数坐标的测定精度更高,从而总体上得到了一个改进的结构模型。该离子化合物包含三角锥型的(SCl)阳离子和略微畸变的八面体[UCl]阴离子。该结构被精修为一个孪晶比为4.4:1的倒易孪晶。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/feee/9462248/1a30c33eeece/x-05-x200960-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/feee/9462248/83b1c8b51c56/x-05-x200960-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/feee/9462248/1a30c33eeece/x-05-x200960-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/feee/9462248/83b1c8b51c56/x-05-x200960-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/feee/9462248/1a30c33eeece/x-05-x200960-fig2.jpg

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本文引用的文献

1
A Revised Structure Model for the UCl Structure Type, Novel Modifications of UCl and UBr , and a Comment on the Modifications of Protactinium Pentabromides.UCl结构类型的修订结构模型、UCl和UBr的新型修饰以及关于五溴化镤修饰的评论
Chemistry. 2019 May 2;25(25):6402-6411. doi: 10.1002/chem.201900389. Epub 2019 Apr 8.