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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3793667 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT weilmatthias redeterminationofmgcro45h2o |