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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3200760 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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