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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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] |
format | Online Article Text |
id | pubmed-9462163 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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