Crystal Structure of a Mononuclear Iron(III) Complex, Hexakis(dimethylsulfoxide-κO)iron(III) Tris(hexafluoridophosphate)

Abstract

A mononuclear iron(III) complex, [Fe(dmso)₆][PF₆]₃ [hexakis(dimethylsulfoxide-κO)iron(III) tris(hexafluoridophosphate)], was synthesized, and characterized by a single-crystal X-ray method. The compound crystallized in the trigonal space group R3 and Z = 3 with cell parameters a = 11.598(8)Å, c = 25.367(18)Å, V = 2955(4)ų. The R₁ [I > 2σ(I)] and wR₂ (all data) values were 0.0509 and 0.1565, respectively, for all 1630 independent reflections. The symmetry of the complex cation was found to belong to the S₆ point group, possessing a trigonally compressed octahedral coordination geometry with an O₆ donor set.