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Crystal structure of CdSO(4)(H(2)O): a redetermination

The crystal structure of the title compound, cadmium sulfate monohydrate or poly[(μ(2)-aqua)(μ(4)-sulfato)­cadmium], was redetermined based on modern CMOS (complementary metal oxide silicon) data. In comparison with the previous study [Bregeault & Herpin (1970 ▸). Bull. Soc. Fr. Mineral. Cristal...

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Autores principales: Theppitak, Chatphorn, Chainok, Kittipong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647421/
https://www.ncbi.nlm.nih.gov/pubmed/26594423
http://dx.doi.org/10.1107/S2056989015016904
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author Theppitak, Chatphorn
Chainok, Kittipong
author_facet Theppitak, Chatphorn
Chainok, Kittipong
author_sort Theppitak, Chatphorn
collection PubMed
description The crystal structure of the title compound, cadmium sulfate monohydrate or poly[(μ(2)-aqua)(μ(4)-sulfato)­cadmium], was redetermined based on modern CMOS (complementary metal oxide silicon) data. In comparison with the previous study [Bregeault & Herpin (1970 ▸). Bull. Soc. Fr. Mineral. Cristallogr. 93, 37–42], all non-H atoms were refined with anisotropic displacement parameters and the hydrogen-bonding pattern unambiguously established due to location of the hydrogen atoms. In addition, a significant improvement in terms of precision and accuracy was achieved. In the crystal, the Cd(2+) cation is coordinated by four O atoms of four sulfate anions and two O atoms of water mol­ecules, forming a distorted octa­hedral trans-[CdO(6)] polyhedron. Each sulfate anion bridges four Cd(2+) cations and each water mol­ecule bridges two Cd(2+) cations, leading to the formation of a three-dimensional framework, with Cd⋯Cd separations in the range 4.0757 (2)–6.4462 (3) Å. O—H⋯O hydrogen-bonding inter­actions of medium strength between the coordinating water mol­ecules and sulfate anions consolidate the crystal packing.
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spelling pubmed-46474212015-11-20 Crystal structure of CdSO(4)(H(2)O): a redetermination Theppitak, Chatphorn Chainok, Kittipong Acta Crystallogr E Crystallogr Commun Data Reports The crystal structure of the title compound, cadmium sulfate monohydrate or poly[(μ(2)-aqua)(μ(4)-sulfato)­cadmium], was redetermined based on modern CMOS (complementary metal oxide silicon) data. In comparison with the previous study [Bregeault & Herpin (1970 ▸). Bull. Soc. Fr. Mineral. Cristallogr. 93, 37–42], all non-H atoms were refined with anisotropic displacement parameters and the hydrogen-bonding pattern unambiguously established due to location of the hydrogen atoms. In addition, a significant improvement in terms of precision and accuracy was achieved. In the crystal, the Cd(2+) cation is coordinated by four O atoms of four sulfate anions and two O atoms of water mol­ecules, forming a distorted octa­hedral trans-[CdO(6)] polyhedron. Each sulfate anion bridges four Cd(2+) cations and each water mol­ecule bridges two Cd(2+) cations, leading to the formation of a three-dimensional framework, with Cd⋯Cd separations in the range 4.0757 (2)–6.4462 (3) Å. O—H⋯O hydrogen-bonding inter­actions of medium strength between the coordinating water mol­ecules and sulfate anions consolidate the crystal packing. International Union of Crystallography 2015-09-17 /pmc/articles/PMC4647421/ /pubmed/26594423 http://dx.doi.org/10.1107/S2056989015016904 Text en © Theppitak and Chainok 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Theppitak, Chatphorn
Chainok, Kittipong
Crystal structure of CdSO(4)(H(2)O): a redetermination
title Crystal structure of CdSO(4)(H(2)O): a redetermination
title_full Crystal structure of CdSO(4)(H(2)O): a redetermination
title_fullStr Crystal structure of CdSO(4)(H(2)O): a redetermination
title_full_unstemmed Crystal structure of CdSO(4)(H(2)O): a redetermination
title_short Crystal structure of CdSO(4)(H(2)O): a redetermination
title_sort crystal structure of cdso(4)(h(2)o): a redetermination
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647421/
https://www.ncbi.nlm.nih.gov/pubmed/26594423
http://dx.doi.org/10.1107/S2056989015016904
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