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Crystal structure of a two-dimensional metal–organic framework assembled from lithium(I) and γ-cyclodextrin
The crystal structure of the polymeric title compound, catena-poly[[[diaqualithium]-μ-γ-cyclodextrin(1−)-[aqualithium]-μ-γ-cyclodextrin(1−)] pentadecahydrate], {[Li(2)(C(48)H(79)O(40))(2)(H(2)O)(3)]·15H(2)O}(n), consists of deprotonated γ-cyclodextrin (CD) molecules assembled by lithium ions...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7057359/ https://www.ncbi.nlm.nih.gov/pubmed/32148874 http://dx.doi.org/10.1107/S2056989020001942 |
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author | Krukle-Berzina, Kristine Belyakov, Sergey Mishnev, Anatoly Shubin, Kirill |
author_facet | Krukle-Berzina, Kristine Belyakov, Sergey Mishnev, Anatoly Shubin, Kirill |
author_sort | Krukle-Berzina, Kristine |
collection | PubMed |
description | The crystal structure of the polymeric title compound, catena-poly[[[diaqualithium]-μ-γ-cyclodextrin(1−)-[aqualithium]-μ-γ-cyclodextrin(1−)] pentadecahydrate], {[Li(2)(C(48)H(79)O(40))(2)(H(2)O)(3)]·15H(2)O}(n), consists of deprotonated γ-cyclodextrin (CD) molecules assembled by lithium ions into metal–organic ribbons that are cross-linked by multiple O—H⋯O hydrogen bonds into sheets extending parallel to (0[Image: see text]1). Within a ribbon, one Li(+) ion is coordinated by one deprotonated hydroxyl group of the first γ-CD torus and by one hydroxyl group of the second γ-CD torus as well as by two water molecules. The other Li(+) ion is coordinated by one deprotonated hydroxyl and by one hydroxyl group of the second γ-CD torus, by one hydroxyl group of the first γ-CD torus as well as by one water molecule. The coordination spheres of both Li(+) cations are distorted tetrahedral. The packing of the structure constitute channels along the a axis. Parts of the hydroxymethyl groups in cyclodextrin molecules as well as water molecules show two-component disorder. Electron density associated with additional disordered solvent molecules inside the cavities was removed with the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9–18] routine in PLATON. These solvent molecules are not considered in the given chemical formula and other crystal data. Five out of the sixteen hydroxymethyl groups and one water molecule are disordered over two sets of sites. |
format | Online Article Text |
id | pubmed-7057359 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-70573592020-03-06 Crystal structure of a two-dimensional metal–organic framework assembled from lithium(I) and γ-cyclodextrin Krukle-Berzina, Kristine Belyakov, Sergey Mishnev, Anatoly Shubin, Kirill Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the polymeric title compound, catena-poly[[[diaqualithium]-μ-γ-cyclodextrin(1−)-[aqualithium]-μ-γ-cyclodextrin(1−)] pentadecahydrate], {[Li(2)(C(48)H(79)O(40))(2)(H(2)O)(3)]·15H(2)O}(n), consists of deprotonated γ-cyclodextrin (CD) molecules assembled by lithium ions into metal–organic ribbons that are cross-linked by multiple O—H⋯O hydrogen bonds into sheets extending parallel to (0[Image: see text]1). Within a ribbon, one Li(+) ion is coordinated by one deprotonated hydroxyl group of the first γ-CD torus and by one hydroxyl group of the second γ-CD torus as well as by two water molecules. The other Li(+) ion is coordinated by one deprotonated hydroxyl and by one hydroxyl group of the second γ-CD torus, by one hydroxyl group of the first γ-CD torus as well as by one water molecule. The coordination spheres of both Li(+) cations are distorted tetrahedral. The packing of the structure constitute channels along the a axis. Parts of the hydroxymethyl groups in cyclodextrin molecules as well as water molecules show two-component disorder. Electron density associated with additional disordered solvent molecules inside the cavities was removed with the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9–18] routine in PLATON. These solvent molecules are not considered in the given chemical formula and other crystal data. Five out of the sixteen hydroxymethyl groups and one water molecule are disordered over two sets of sites. International Union of Crystallography 2020-02-14 /pmc/articles/PMC7057359/ /pubmed/32148874 http://dx.doi.org/10.1107/S2056989020001942 Text en © Krukle-Berzina et al. 2020 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 Krukle-Berzina, Kristine Belyakov, Sergey Mishnev, Anatoly Shubin, Kirill Crystal structure of a two-dimensional metal–organic framework assembled from lithium(I) and γ-cyclodextrin |
title | Crystal structure of a two-dimensional metal–organic framework assembled from lithium(I) and γ-cyclodextrin |
title_full | Crystal structure of a two-dimensional metal–organic framework assembled from lithium(I) and γ-cyclodextrin |
title_fullStr | Crystal structure of a two-dimensional metal–organic framework assembled from lithium(I) and γ-cyclodextrin |
title_full_unstemmed | Crystal structure of a two-dimensional metal–organic framework assembled from lithium(I) and γ-cyclodextrin |
title_short | Crystal structure of a two-dimensional metal–organic framework assembled from lithium(I) and γ-cyclodextrin |
title_sort | crystal structure of a two-dimensional metal–organic framework assembled from lithium(i) and γ-cyclodextrin |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7057359/ https://www.ncbi.nlm.nih.gov/pubmed/32148874 http://dx.doi.org/10.1107/S2056989020001942 |
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