Darstellung, kristallstruktur und quantenchemische berechnung von [C(NMe₂)₃]₂[(CO)₄FeInCl₃]

The title compound (1) has been obtained as colorless crystals by reacting InCl₃ with [C(NMe₂)₃][(CO)₄FeC(O)NMe₂] in THF solution. The crystal structure determination (monoclinic, C2/c) shows the presence of separate ions with one disordered and one non disordered cation. In the dianion the CO groups of the trigonal bipyramidal coordinated iron atom and the Cl atoms of the tetrahedral coordinated indium atom form a staggered conformation with a relatively short In-Fe bond distance of 252 pm. Quantum Chemical DFT calculations of [CO)₄FeInCl₃]^2- show that the Fe-In bond has a strong ionic character and that it should be considered as an adduct of [Fe(CO)₄]^2- and InCl₃.