Crystal structure of Tris(pyrrolidine-1-carbodithioato)iron(III)

Abstract

The crystal structure of the title compound, [Fe{CS₂N(CH₂)₄}₃] (a new phase prepared from chloro-form/toluene solutions), has been determined by single-crystal X-ray diffraction at 295 K and refined to a residual of 0.059 for 5651 'observed' reflections. Crystals are monoclinic, P2₁/a, a 18.033(6), b 9.398(2), c 13.176(6) Ǻ, β 100.80(3)°, Z 4. The compound is a purely high-spin derivative, the iron atom being in the usual pseudo-D₃ environment with <Fe-S> very long (2.45₆ Ǻ).