Crystal structure of Bis(N,N-diethyldithiocarbamato)(isothiocyanato)iron(III)

Abstract

The crystal structure of the title compound [Fe(NCS)(S₂CNEt₂)₂] has been determined by single-crystal X-ray diffraction methods at 295(1) K and refined to a residual of 0.054 for 998 'observed' reflections. Crystals are orthorhombic, P2₁2₁2₁, with a 18.70(2), b 15.43(2), c 6.667(6)Ǻ, Z 4. The iron atom of the complex molecule [Fe(NCS)(S₂CNEt₂)₂] is five- coordinated, being bonded by four sulfur atoms [Fe-S, 2.257-2.300(5) Ǻ] and the nitrogen atom of the thiocyanate [Fe-N, 1.91(2)Ǻ].