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

W. Franklin Schwandt, Toby J. Woods, Gregory S. Girolami

Research output: Contribution to journalArticlepeer-review


The crystal structure of the title compound, [Hf(C5 HF6 O2)4 ], has been determined. The asymmetric unit contains two Hf(hfac)4 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 3 groups in one of the two mol-ecules. The mol-ecules 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 anti-prism. An inter-esting aspect of the structure is that the hfac ligands are arranged so that the Hf(hfac)4 mol-ecules 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-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.

Original languageEnglish (US)
Pages (from-to)1182-1185
Number of pages4
JournalActa Crystallographica Section E: Crystallographic Communications
StatePublished - 2018


  • crystal structure
  • hafnium
  • hexa-fluoro-acetyl-acetonate

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics


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