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Crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV)
The crystal structure of the title compound, [Hf(C(5)HF(6)O(2))(4)], has been determined. The asymmetric unit contains two Hf(hfac)(4) molecules (hfac = 1,1,1,5,5,5-hexafluoroacetylacetonate); both are located on general positions and have identical structures apart from the disorder involving t...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6072989/ https://www.ncbi.nlm.nih.gov/pubmed/30116589 http://dx.doi.org/10.1107/S2056989018010514 |
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author | Schwandt, W. Franklin Woods, Toby J. Girolami, Gregory S. |
author_facet | Schwandt, W. Franklin Woods, Toby J. Girolami, Gregory S. |
author_sort | Schwandt, W. Franklin |
collection | PubMed |
description | The crystal structure of the title compound, [Hf(C(5)HF(6)O(2))(4)], has been determined. The asymmetric unit contains two Hf(hfac)(4) molecules (hfac = 1,1,1,5,5,5-hexafluoroacetylacetonate); both are located on general positions and have identical structures apart from the disorder involving three CF(3) groups in one of the two molecules. The molecules of Hf(hfac)(4) are arranged in layers that are parallel to the ab plane, and the coordination geometry of each hafnium(IV) center is a distorted square antiprism. An interesting aspect of the structure is that the hfac ligands are arranged so that the Hf(hfac)(4) molecules have idealized 2 point symmetry, in which two of the hfac groups bridge between the two squares. Although all other M(β-diketonate)(4) compounds of Hf (and Zr) also have square-antiprismatic geometries; in almost all of them the ligands are arranged so that the molecules have 222 point symmetry (in which none of the hfac ligands bridges between the two squares). The factors that favor one structure over another are not clear. |
format | Online Article Text |
id | pubmed-6072989 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-60729892018-08-16 Crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV) Schwandt, W. Franklin Woods, Toby J. Girolami, Gregory S. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title compound, [Hf(C(5)HF(6)O(2))(4)], has been determined. The asymmetric unit contains two Hf(hfac)(4) molecules (hfac = 1,1,1,5,5,5-hexafluoroacetylacetonate); both are located on general positions and have identical structures apart from the disorder involving three CF(3) groups in one of the two molecules. The molecules of Hf(hfac)(4) are arranged in layers that are parallel to the ab plane, and the coordination geometry of each hafnium(IV) center is a distorted square antiprism. An interesting aspect of the structure is that the hfac ligands are arranged so that the Hf(hfac)(4) molecules have idealized 2 point symmetry, in which two of the hfac groups bridge between the two squares. Although all other M(β-diketonate)(4) compounds of Hf (and Zr) also have square-antiprismatic geometries; in almost all of them the ligands are arranged so that the molecules have 222 point symmetry (in which none of the hfac ligands bridges between the two squares). The factors that favor one structure over another are not clear. International Union of Crystallography 2018-07-31 /pmc/articles/PMC6072989/ /pubmed/30116589 http://dx.doi.org/10.1107/S2056989018010514 Text en © Schwandt et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Schwandt, W. Franklin Woods, Toby J. Girolami, Gregory S. Crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV) |
title | Crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV) |
title_full | Crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV) |
title_fullStr | Crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV) |
title_full_unstemmed | Crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV) |
title_short | Crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV) |
title_sort | crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(iv) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6072989/ https://www.ncbi.nlm.nih.gov/pubmed/30116589 http://dx.doi.org/10.1107/S2056989018010514 |
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