Ca(BF4)2·xH2O通过粉末衍射重新定义为氢键Ca(H2O)4(BF4)2带。

IF 0.7 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section C Structural Chemistry Pub Date : 2025-06-01 Epub Date: 2025-05-19 DOI:10.1107/S2053229625004395

Armel Le Bail

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引用次数: 0

摘要

用实验室粉末衍射数据测定了水合四氟硼酸钙Ca(BF4)2·xH2O的晶体结构。水分子均属于[CaO4F4]方形反棱镜，与[BF4]四面体共享F角，形成由H…F和H……O氢键。在间隙中没有发现水分子，因此化合物必须重新配制为Ca(H2O)4(BF4)2，它与四水合高氯酸钙Ca(ClO4)2·4H2O是同结构的。

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Ca(BF₄)₂·xH₂O redefined from powder diffraction as hydrogen-bonded Ca(H₂O)₄(BF₄)₂ ribbons.

The crystal structure of the calcium bis(tetrafluoroborate) hydrate Ca(BF₄)₂·xH₂O has been determined from laboratory powder diffraction data. The water molecules all belong to [CaO₄F₄] square antiprisms sharing F corners with [BF₄] tetrahedra, forming a mono-dimensional structure of infinite ribbons interconnected by H...F and H...O hydrogen bonds. No place is found for interstitial water molecules, so that the compound has to be reformulated as Ca(H₂O)₄(BF₄)₂, which is isostructural with calcium perchlorate tetrahydrate, Ca(ClO₄)₂·4H₂O.

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来源期刊

Acta Crystallographica Section C Structural Chemistry CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

1.60

自引率

12.50%

发文量

148

期刊介绍： Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.