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Rerefinement of poly[di­aqua­bis­(μ(3)-2-methyl­pro­pano­ato-κ(4) O:O,O′:O′)bis­(μ(3)-2-methyl­propano­ato-κ(3) O:O:O)(μ(2)-2-methyl­propano­ato-κ(3) O:O,O′)(2-methyl­propano­ato-κ(2) O,O′)trilead(II)]

The crystal structure of the title complex, [Pb(3)(C(4)H(7)O(2))(6)(H(2)O)(2)]( n ), was redetermined on basis of modern CCD-based single-crystal X-ray data at 120 K. The current study basically confirms the previous report [Fallon et al. (1997 ▸). Polyhedron, 16, 19–23] at 190 K, but with higher ac...

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Autores principales: Samolová, Erika, Fábry, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462163/
https://www.ncbi.nlm.nih.gov/pubmed/36339029
http://dx.doi.org/10.1107/S2414314620013115
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author Samolová, Erika
Fábry, Jan
author_facet Samolová, Erika
Fábry, Jan
author_sort Samolová, Erika
collection PubMed
description The crystal structure of the title complex, [Pb(3)(C(4)H(7)O(2))(6)(H(2)O)(2)]( n ), was redetermined on basis of modern CCD-based single-crystal X-ray data at 120 K. The current study basically confirms the previous report [Fallon et al. (1997 ▸). Polyhedron, 16, 19–23] at 190 K, but with higher accuracy and precision. In particular, positional disorder of one of the 2-methyl­propano­ate anions over two sets of sites was resolved, showing a refined ratio of the disorder components of 0.535 (9):0.465 (9). The three independent cations in the structure have coordination numbers of [7 + 1], [6 + 1], and [5 + 3], with O atoms belonging either to carboxyl­ate groups or water mol­ecules. This arrangement leads to the formation of sheets parallel to ( [Image: see text] 01), whereby the hydro­phobic 2-methyl­propanyl groups of the anions are oriented above and below the hydro­philic sheets to form a layered structure. Within a sheet, hydrogen bonds of the type O(water)—H⋯O are formed, whereas the hydro­phobic groups between adjacent layers inter­act through van der Waals forces. [Image: see text]
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spelling pubmed-94621632022-11-04 Rerefinement of poly[di­aqua­bis­(μ(3)-2-methyl­pro­pano­ato-κ(4) O:O,O′:O′)bis­(μ(3)-2-methyl­propano­ato-κ(3) O:O:O)(μ(2)-2-methyl­propano­ato-κ(3) O:O,O′)(2-methyl­propano­ato-κ(2) O,O′)trilead(II)] Samolová, Erika Fábry, Jan IUCrdata Data Reports The crystal structure of the title complex, [Pb(3)(C(4)H(7)O(2))(6)(H(2)O)(2)]( n ), was redetermined on basis of modern CCD-based single-crystal X-ray data at 120 K. The current study basically confirms the previous report [Fallon et al. (1997 ▸). Polyhedron, 16, 19–23] at 190 K, but with higher accuracy and precision. In particular, positional disorder of one of the 2-methyl­propano­ate anions over two sets of sites was resolved, showing a refined ratio of the disorder components of 0.535 (9):0.465 (9). The three independent cations in the structure have coordination numbers of [7 + 1], [6 + 1], and [5 + 3], with O atoms belonging either to carboxyl­ate groups or water mol­ecules. This arrangement leads to the formation of sheets parallel to ( [Image: see text] 01), whereby the hydro­phobic 2-methyl­propanyl groups of the anions are oriented above and below the hydro­philic sheets to form a layered structure. Within a sheet, hydrogen bonds of the type O(water)—H⋯O are formed, whereas the hydro­phobic groups between adjacent layers inter­act through van der Waals forces. [Image: see text] International Union of Crystallography 2020-10-06 /pmc/articles/PMC9462163/ /pubmed/36339029 http://dx.doi.org/10.1107/S2414314620013115 Text en © Samolová and Fábry 2020 https://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.
spellingShingle Data Reports
Samolová, Erika
Fábry, Jan
Rerefinement of poly[di­aqua­bis­(μ(3)-2-methyl­pro­pano­ato-κ(4) O:O,O′:O′)bis­(μ(3)-2-methyl­propano­ato-κ(3) O:O:O)(μ(2)-2-methyl­propano­ato-κ(3) O:O,O′)(2-methyl­propano­ato-κ(2) O,O′)trilead(II)]
title Rerefinement of poly[di­aqua­bis­(μ(3)-2-methyl­pro­pano­ato-κ(4) O:O,O′:O′)bis­(μ(3)-2-methyl­propano­ato-κ(3) O:O:O)(μ(2)-2-methyl­propano­ato-κ(3) O:O,O′)(2-methyl­propano­ato-κ(2) O,O′)trilead(II)]
title_full Rerefinement of poly[di­aqua­bis­(μ(3)-2-methyl­pro­pano­ato-κ(4) O:O,O′:O′)bis­(μ(3)-2-methyl­propano­ato-κ(3) O:O:O)(μ(2)-2-methyl­propano­ato-κ(3) O:O,O′)(2-methyl­propano­ato-κ(2) O,O′)trilead(II)]
title_fullStr Rerefinement of poly[di­aqua­bis­(μ(3)-2-methyl­pro­pano­ato-κ(4) O:O,O′:O′)bis­(μ(3)-2-methyl­propano­ato-κ(3) O:O:O)(μ(2)-2-methyl­propano­ato-κ(3) O:O,O′)(2-methyl­propano­ato-κ(2) O,O′)trilead(II)]
title_full_unstemmed Rerefinement of poly[di­aqua­bis­(μ(3)-2-methyl­pro­pano­ato-κ(4) O:O,O′:O′)bis­(μ(3)-2-methyl­propano­ato-κ(3) O:O:O)(μ(2)-2-methyl­propano­ato-κ(3) O:O,O′)(2-methyl­propano­ato-κ(2) O,O′)trilead(II)]
title_short Rerefinement of poly[di­aqua­bis­(μ(3)-2-methyl­pro­pano­ato-κ(4) O:O,O′:O′)bis­(μ(3)-2-methyl­propano­ato-κ(3) O:O:O)(μ(2)-2-methyl­propano­ato-κ(3) O:O,O′)(2-methyl­propano­ato-κ(2) O,O′)trilead(II)]
title_sort rerefinement of poly[di­aqua­bis­(μ(3)-2-methyl­pro­pano­ato-κ(4) o:o,o′:o′)bis­(μ(3)-2-methyl­propano­ato-κ(3) o:o:o)(μ(2)-2-methyl­propano­ato-κ(3) o:o,o′)(2-methyl­propano­ato-κ(2) o,o′)trilead(ii)]
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462163/
https://www.ncbi.nlm.nih.gov/pubmed/36339029
http://dx.doi.org/10.1107/S2414314620013115
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