X-ray crystal and molecular structure of dichlorobis iron(II)

Article abstract of DOI:10.1007/BF01158967

Attempts to prepare the mixed ligand complex, FeCl2(pyS)(Ph3P)2 from the reaction of iron(III) chloride with 2(1H)-pyridinethione-S(HpyS) and triphenylphosphine(Ph3P) in ethanol instead formed FeCl2(HPyS)2 characterized by X-ray crystallography.The structure was determined by the heavy atom method, using Mo Kα diffractometer data, and refined by full-matrix least squares to R = 0.049 for 1123 observed reflections.The molecule possesses twofold symmetry with a distorted tetrahedral geometry about the iron(II) center with S-Fe-S and Cl-Fe-Cl bond angles of 98.76(5) deg and 115.79(5) deg and Fe-S and Fe-Cl bond distances 2.345(1) Angstroem and 2.288(1) Angstroem, respectively.Hydrogen bonding between NH and chlorine atoms leads to a polymeric type structure of lined molecules running approximately parallel to the a axis.