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Diaqua­tris­[4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate

The title complex, [Nd(C(8)H(4)F(3)O(2)S)(3)(H(2)O)(2)]·CH(3)CN, consists of an Nd(III) ion surrounded by three 4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olate ligands, coordinated through the O atoms, and two water mol­ecules. The Nd—O bond lengths range from 2.372 (2) to 2.513 (2) Å. The...

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Detalles Bibliográficos
Autores principales: Barber, Patrick S., de Bettencourt-Dias, Ana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200760/
https://www.ncbi.nlm.nih.gov/pubmed/22058840
http://dx.doi.org/10.1107/S1600536811030376
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author Barber, Patrick S.
de Bettencourt-Dias, Ana
author_facet Barber, Patrick S.
de Bettencourt-Dias, Ana
author_sort Barber, Patrick S.
collection PubMed
description The title complex, [Nd(C(8)H(4)F(3)O(2)S)(3)(H(2)O)(2)]·CH(3)CN, consists of an Nd(III) ion surrounded by three 4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olate ligands, coordinated through the O atoms, and two water mol­ecules. The Nd—O bond lengths range from 2.372 (2) to 2.513 (2) Å. The metal ion displays a coordination number of eight and a square-anti­prismatic coordination geometry. A single uncoordinated acetonitrile mol­ecule is present in the asymmetric unit. Two of the three thio­phene rings are disordered, resulting from a 180° rotation with respect to the β-diketonate moiety. The coordinated water mol­ecules act as hydrogen-bond donors towards the acetonitrile N atom and the β-diketonate O atoms.
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spelling pubmed-32007602011-11-06 Diaqua­tris­[4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate Barber, Patrick S. de Bettencourt-Dias, Ana Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title complex, [Nd(C(8)H(4)F(3)O(2)S)(3)(H(2)O)(2)]·CH(3)CN, consists of an Nd(III) ion surrounded by three 4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olate ligands, coordinated through the O atoms, and two water mol­ecules. The Nd—O bond lengths range from 2.372 (2) to 2.513 (2) Å. The metal ion displays a coordination number of eight and a square-anti­prismatic coordination geometry. A single uncoordinated acetonitrile mol­ecule is present in the asymmetric unit. Two of the three thio­phene rings are disordered, resulting from a 180° rotation with respect to the β-diketonate moiety. The coordinated water mol­ecules act as hydrogen-bond donors towards the acetonitrile N atom and the β-diketonate O atoms. International Union of Crystallography 2011-08-02 /pmc/articles/PMC3200760/ /pubmed/22058840 http://dx.doi.org/10.1107/S1600536811030376 Text en © Barber and de Bettencourt-Dias 2011 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
Barber, Patrick S.
de Bettencourt-Dias, Ana
Diaqua­tris­[4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate
title Diaqua­tris­[4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate
title_full Diaqua­tris­[4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate
title_fullStr Diaqua­tris­[4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate
title_full_unstemmed Diaqua­tris­[4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate
title_short Diaqua­tris­[4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olato]neodymium(III) acetonitrile monosolvate
title_sort diaqua­tris­[4,4,4-trifluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olato]neodymium(iii) acetonitrile monosolvate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200760/
https://www.ncbi.nlm.nih.gov/pubmed/22058840
http://dx.doi.org/10.1107/S1600536811030376
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