Crystal structure of tetra-kis-(1,1,1,5,5,5-hexa-fluoro-acetyl-acetonato)hafnium(IV).

Author(s) Schwandt, F.; Woods, T.J.; Girolami, G.S.
Journal Acta Crystallogr E Crystallogr Commun
Date Published 2018 Aug 01
Abstract

The crystal structure of the title compound, [Hf(CHFO)], has been determined. The asymmetric unit contains two Hf(hfac) mol-ecules (hfac = 1,1,1,5,5,5-hexa-fluoro-acetyl-acetonate); both are located on general positions and have identical structures apart from the disorder involving three CF groups in one of the two mol-ecules. The mol-ecules of Hf(hfac) are arranged in layers that are parallel to the plane, and the coordination geometry of each hafnium(IV) center is a distorted square anti-prism. An inter-esting aspect of the structure is that the hfac ligands are arranged so that the Hf(hfac) mol-ecules have idealized 2 point symmetry, in which two of the hfac groups bridge between the two squares. Although all other (β-diketonate) compounds of Hf (and Zr) also have square-anti-prismatic geometries; in almost all of them the ligands are arranged so that the mol-ecules 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.

DOI 10.1107/S2056989018010514
ISSN 2056-9890
Citation W Schwandt F, Woods TJ, Girolami GS. Crystal structure of tetra-kis-(1,1,1,5,5,5-hexa-fluoro-acetyl-acetonato)hafnium(IV). Acta Crystallogr E Crystallogr Commun. 2018;74(Pt 8):1182-1185.

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