Heptacarbonylbis(μ-propane-1,3-dithiolato)triiron(I,II)(2 Fe—Fe)

• Main Authors: Mingqiang Hu, Chengbing Ma, Huimin Wen, Honghua Cui, Changneng Chen
• Format: Article
• Language: English
• Published: International Union of Crystallography 2014-04-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536814004619

The trinuclear title compound, [Fe3(C3H6S2)2(CO)7], is a mixed-valent FeI/FeII complex and crystallizes with two molecules of similar configuration in the asymmetric unit. The three Fe atoms in each molecule display a bent arrangement [Fe—Fe—Fe = 156.22 (4) and 157.06 (3)°]. Both outer FeI atoms are six-coordinated in a distorted ocahedral coordination geometry defined by the bridging FeII atom, three carbonyl C atoms and two bridging S atoms. The coordination number of the central FeII atom is seven and includes bonding to the two outer FeI atoms, four bridging S atoms and one carbonyl C atom. The resulting coordination polyhedron might be described as a highly distorted monocapped trigonal prism. In the crystal packing, the molecules exhibit a chain-like arrangement parallel to [100] and [001], and the resulting layers are stacked along [010]. The cohesion of the structure is dominated by van der Waals interactions.