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Sodium dirubidium citrate, NaRb(2)C(6)H(5)O(7), and sodium dirubidium citrate dihydrate, NaRb(2)C(6)H(5)O(7)(H(2)O)(2)
The crystal structures of sodium dirubidium citrate {poly[μ-citrato-dirubidium(I)sodium(I)], [NaRb(2)(C(6)H(5)O(7))](n)} and sodium dirubidium citrate dihydrate {poly[diaqua(μ-citrato)dirubidium(I)sodium(I)], [NaRb(2)(C(6)H(5)O(7))(H(2)O)(2)](n)} have been solved and refined using laboratory X-ra...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509689/ https://www.ncbi.nlm.nih.gov/pubmed/31161051 http://dx.doi.org/10.1107/S2056989019003190 |
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author | Cigler, Andrew J. Kaduk, James A. |
author_facet | Cigler, Andrew J. Kaduk, James A. |
author_sort | Cigler, Andrew J. |
collection | PubMed |
description | The crystal structures of sodium dirubidium citrate {poly[μ-citrato-dirubidium(I)sodium(I)], [NaRb(2)(C(6)H(5)O(7))](n)} and sodium dirubidium citrate dihydrate {poly[diaqua(μ-citrato)dirubidium(I)sodium(I)], [NaRb(2)(C(6)H(5)O(7))(H(2)O)(2)](n)} have been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. Both structures contain Na chains and Rb layers, which link to form different three-dimensional frameworks. In each structure, the citrate triply chelates to the Na(+) cation. Each citrate also chelates to Rb(+) cations. In the dihydrate structure, the water molecules are bonded to the Rb(+) cations; the Na(+) cation is coordinated only to citrate O atoms. Both structures contain an intramolecular O—H⋯O hydrogen bond between the hydroxy group and one of the terminal carboxylate groups. In the structure of the dihydrate, each hydrogen atom of the water molecules participates in a hydrogen bond to an ionized carboxylate group. |
format | Online Article Text |
id | pubmed-6509689 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-65096892019-06-03 Sodium dirubidium citrate, NaRb(2)C(6)H(5)O(7), and sodium dirubidium citrate dihydrate, NaRb(2)C(6)H(5)O(7)(H(2)O)(2) Cigler, Andrew J. Kaduk, James A. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structures of sodium dirubidium citrate {poly[μ-citrato-dirubidium(I)sodium(I)], [NaRb(2)(C(6)H(5)O(7))](n)} and sodium dirubidium citrate dihydrate {poly[diaqua(μ-citrato)dirubidium(I)sodium(I)], [NaRb(2)(C(6)H(5)O(7))(H(2)O)(2)](n)} have been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. Both structures contain Na chains and Rb layers, which link to form different three-dimensional frameworks. In each structure, the citrate triply chelates to the Na(+) cation. Each citrate also chelates to Rb(+) cations. In the dihydrate structure, the water molecules are bonded to the Rb(+) cations; the Na(+) cation is coordinated only to citrate O atoms. Both structures contain an intramolecular O—H⋯O hydrogen bond between the hydroxy group and one of the terminal carboxylate groups. In the structure of the dihydrate, each hydrogen atom of the water molecules participates in a hydrogen bond to an ionized carboxylate group. International Union of Crystallography 2019-03-11 /pmc/articles/PMC6509689/ /pubmed/31161051 http://dx.doi.org/10.1107/S2056989019003190 Text en © Cigler and Kaduk 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Cigler, Andrew J. Kaduk, James A. Sodium dirubidium citrate, NaRb(2)C(6)H(5)O(7), and sodium dirubidium citrate dihydrate, NaRb(2)C(6)H(5)O(7)(H(2)O)(2) |
title | Sodium dirubidium citrate, NaRb(2)C(6)H(5)O(7), and sodium dirubidium citrate dihydrate, NaRb(2)C(6)H(5)O(7)(H(2)O)(2)
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title_full | Sodium dirubidium citrate, NaRb(2)C(6)H(5)O(7), and sodium dirubidium citrate dihydrate, NaRb(2)C(6)H(5)O(7)(H(2)O)(2)
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title_fullStr | Sodium dirubidium citrate, NaRb(2)C(6)H(5)O(7), and sodium dirubidium citrate dihydrate, NaRb(2)C(6)H(5)O(7)(H(2)O)(2)
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title_full_unstemmed | Sodium dirubidium citrate, NaRb(2)C(6)H(5)O(7), and sodium dirubidium citrate dihydrate, NaRb(2)C(6)H(5)O(7)(H(2)O)(2)
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title_short | Sodium dirubidium citrate, NaRb(2)C(6)H(5)O(7), and sodium dirubidium citrate dihydrate, NaRb(2)C(6)H(5)O(7)(H(2)O)(2)
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title_sort | sodium dirubidium citrate, narb(2)c(6)h(5)o(7), and sodium dirubidium citrate dihydrate, narb(2)c(6)h(5)o(7)(h(2)o)(2) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509689/ https://www.ncbi.nlm.nih.gov/pubmed/31161051 http://dx.doi.org/10.1107/S2056989019003190 |
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