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Redetermination at 180 K of a layered lanthanide–organic framework
The asymmetric unit of the title compound, poly[(μ(4)-{[bis(hydrogen phosphonatomethyl)azaniumyl]methyl}phosphonato)lanthanum(III)], [La(C(3)H(9)NO(9)P(3))](n), comprises an La(3+) center and a H(3)nmp(3−) anion (where H(3)nmp(3−) is a residue of partially deprotonated nitrilotris(methylen...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297248/ https://www.ncbi.nlm.nih.gov/pubmed/22412438 http://dx.doi.org/10.1107/S1600536812005508 |
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author | Silva, Patrícia Fernandes, José A. Almeida Paz, Filipe A. |
author_facet | Silva, Patrícia Fernandes, José A. Almeida Paz, Filipe A. |
author_sort | Silva, Patrícia |
collection | PubMed |
description | The asymmetric unit of the title compound, poly[(μ(4)-{[bis(hydrogen phosphonatomethyl)azaniumyl]methyl}phosphonato)lanthanum(III)], [La(C(3)H(9)NO(9)P(3))](n), comprises an La(3+) center and a H(3)nmp(3−) anion (where H(3)nmp(3−) is a residue of partially deprotonated nitrilotris(methylenephosphonic acid), namely {[bis(hydrogen phosphonatomethyl)azaniumyl]methyl}phosphonate). This study concerns a structural redetermination using single-crystal X-ray diffraction data, collected at the low temperature of 180 K, of a recently investigated material whose structural details have been proposed from powder X-ray diffraction studies [Silva et al. (2011 ▶). J. Am. Chem. Soc. 133, 15120–15138]. The main difference between the two models rests on the position of the H atoms. While two H atoms were modeled as attached to the same phosphonate group in the powder determination, in the current model, the same H atoms are instead distributed among two of these groups. The sample studied was an inversion twin. |
format | Online Article Text |
id | pubmed-3297248 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32972482012-03-12 Redetermination at 180 K of a layered lanthanide–organic framework Silva, Patrícia Fernandes, José A. Almeida Paz, Filipe A. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title compound, poly[(μ(4)-{[bis(hydrogen phosphonatomethyl)azaniumyl]methyl}phosphonato)lanthanum(III)], [La(C(3)H(9)NO(9)P(3))](n), comprises an La(3+) center and a H(3)nmp(3−) anion (where H(3)nmp(3−) is a residue of partially deprotonated nitrilotris(methylenephosphonic acid), namely {[bis(hydrogen phosphonatomethyl)azaniumyl]methyl}phosphonate). This study concerns a structural redetermination using single-crystal X-ray diffraction data, collected at the low temperature of 180 K, of a recently investigated material whose structural details have been proposed from powder X-ray diffraction studies [Silva et al. (2011 ▶). J. Am. Chem. Soc. 133, 15120–15138]. The main difference between the two models rests on the position of the H atoms. While two H atoms were modeled as attached to the same phosphonate group in the powder determination, in the current model, the same H atoms are instead distributed among two of these groups. The sample studied was an inversion twin. International Union of Crystallography 2012-02-17 /pmc/articles/PMC3297248/ /pubmed/22412438 http://dx.doi.org/10.1107/S1600536812005508 Text en © Silva et al. 2012 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 | Metal-Organic Papers Silva, Patrícia Fernandes, José A. Almeida Paz, Filipe A. Redetermination at 180 K of a layered lanthanide–organic framework |
title | Redetermination at 180 K of a layered lanthanide–organic framework |
title_full | Redetermination at 180 K of a layered lanthanide–organic framework |
title_fullStr | Redetermination at 180 K of a layered lanthanide–organic framework |
title_full_unstemmed | Redetermination at 180 K of a layered lanthanide–organic framework |
title_short | Redetermination at 180 K of a layered lanthanide–organic framework |
title_sort | redetermination at 180 k of a layered lanthanide–organic framework |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297248/ https://www.ncbi.nlm.nih.gov/pubmed/22412438 http://dx.doi.org/10.1107/S1600536812005508 |
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