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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...

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Autores principales: Silva, Patrícia, Fernandes, José A., Almeida Paz, Filipe A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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