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

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)Å3. 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.