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

四(1,1,1,5,5,5-六氟乙酰丙酮)铪(IV)的晶体结构

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Abstract

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) 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.

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