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Redetermination of MgCrO(4)·5H(2)O

The CCD-data based redetermination of the crystal structure of the title compound, magnesium chromate(VI) penta­hydrate, confirms in principle the previous study based on precession film data [Bertrand et al. (1971 ▶). C. R. Hebd. Seances Acad. Sci. Serie C, 272, 530–533.], but with all atoms refine...

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Autor principal: Weil, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793667/
https://www.ncbi.nlm.nih.gov/pubmed/24109254
http://dx.doi.org/10.1107/S1600536813018588
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author Weil, Matthias
author_facet Weil, Matthias
author_sort Weil, Matthias
collection PubMed
description The CCD-data based redetermination of the crystal structure of the title compound, magnesium chromate(VI) penta­hydrate, confirms in principle the previous study based on precession film data [Bertrand et al. (1971 ▶). C. R. Hebd. Seances Acad. Sci. Serie C, 272, 530–533.], but with all atoms refined with anisotropic displacement parameters and with all H atoms localized. This allowed an unambiguous assignment of the hydrogen-bonding pattern. MgCrO(4)·5H(2)O adopts the MgSO(4)·5H(2)O structure type. It contains two Mg(2+) sites on special positions with site symmetry -1, one tetra­hedral CrO(4) group and five water mol­ecules. Four of them coordinate to the Mg(2+) cation, and one is an uncoordinating lattice water mol­ecule. The octa­hedral environment of the Mg(2+) cation is completed by two axial O atoms of CrO(4) tetra­hedra. This arrangement leads to the formation of chains parallel to [011]. Adjacent chains are linked through O—H⋯O hydrogen bonds (one of them bifurcated), involving both the coordi­nating and lattice water mol­ecules, into a three-dimensional network.
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spelling pubmed-37936672013-10-09 Redetermination of MgCrO(4)·5H(2)O Weil, Matthias Acta Crystallogr Sect E Struct Rep Online Inorganic Papers The CCD-data based redetermination of the crystal structure of the title compound, magnesium chromate(VI) penta­hydrate, confirms in principle the previous study based on precession film data [Bertrand et al. (1971 ▶). C. R. Hebd. Seances Acad. Sci. Serie C, 272, 530–533.], but with all atoms refined with anisotropic displacement parameters and with all H atoms localized. This allowed an unambiguous assignment of the hydrogen-bonding pattern. MgCrO(4)·5H(2)O adopts the MgSO(4)·5H(2)O structure type. It contains two Mg(2+) sites on special positions with site symmetry -1, one tetra­hedral CrO(4) group and five water mol­ecules. Four of them coordinate to the Mg(2+) cation, and one is an uncoordinating lattice water mol­ecule. The octa­hedral environment of the Mg(2+) cation is completed by two axial O atoms of CrO(4) tetra­hedra. This arrangement leads to the formation of chains parallel to [011]. Adjacent chains are linked through O—H⋯O hydrogen bonds (one of them bifurcated), involving both the coordi­nating and lattice water mol­ecules, into a three-dimensional network. International Union of Crystallography 2013-07-10 /pmc/articles/PMC3793667/ /pubmed/24109254 http://dx.doi.org/10.1107/S1600536813018588 Text en © Matthias Weil 2013 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 Inorganic Papers
Weil, Matthias
Redetermination of MgCrO(4)·5H(2)O
title Redetermination of MgCrO(4)·5H(2)O
title_full Redetermination of MgCrO(4)·5H(2)O
title_fullStr Redetermination of MgCrO(4)·5H(2)O
title_full_unstemmed Redetermination of MgCrO(4)·5H(2)O
title_short Redetermination of MgCrO(4)·5H(2)O
title_sort redetermination of mgcro(4)·5h(2)o
topic Inorganic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793667/
https://www.ncbi.nlm.nih.gov/pubmed/24109254
http://dx.doi.org/10.1107/S1600536813018588
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