Metal ligand bond contraction and possible spin–orbit induced Jahn–Teller distortion in the iron(III) dialkyldithiocarbamate ‘crossover’ system

Abstract

Comparison of the crystal structure of high- and low-spin iron(III) dialkyldithiocarbamate complexes, [Fe(CS₂·NR₂)₃], reveals (a) the predicted difference (0·1 Å) in metal–sulphur bond length and (b) an unusual distortion from D₃ to C₃ symmetry in the low-spin complex, attributed to spin–orbit interactions in the ground state.