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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...

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Autores principales: Schwandt, W. Franklin, Woods, Toby J., Girolami, Gregory S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
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.
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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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