Crystal structure of a hexafluoropropene adduct of tricarbonyl(cyclohexa-1,3-diene)iron: 1,1,1,1-tetracarbonyl-2,3,3-trifluoro-3a,4,5,7a-tetrahydro-5-(1,1,2,3,3,3-hexafluoropropyl)-2-trifluoromethyl-1-ferraindane

Abstract

An X-ray crystallographic investigation of the structure of [graphic omitted] has shown that the addition of hexafluoropropene to tricarbonyl(cyclohexa-1,3-diene)iron takes place in the molar ratio 2 : 1 and that the hexafluoropropene adds endo to the iron atom. It is the CF₂ end of the CF₂:CF(CF₃) molecule which becomes attached to the C₆ ring. A possible mechanism is discussed. Crystals are monoclinic, space group P2₁/n, with Z= 4 in a unrt cell of dimensions a= 13.056(7), b= 11.493(6), c= 13.503(7)Å, β= 106.92(4)° The structure was solved by direct methods from 2 523 Independent observed intensities measured on a four-circle diffractometer, and refined to R 0.063.