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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4647421 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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