(Carbonyl-1κC)bis[2,3(η5)-cyclopentadienyl][μ3-(S-methyl trithiocarbonato)methylidyne-1:2:3κ4 C,S′′:C:C](triphenylphosphine-1κP)(μ3-sulfido-1:2:3κ3 S)dicobalt(II)iron(II) trifluoromethanesulfonate

The asymmetric unit of the title compound, [FeCo2(C5H5)2(C3H3S3)S(C18H15P)(CO)]CF3SO3, consists of a triangular irondicobalt cluster cation and a trifluoromethanesulfonate anion. In the cation, the FeCo2 triangle is symmetrically capped on one face by an S atom and on the other by a C atom linked to a methyl trithiocarbonate residue that bridges the Fe—C bond. Each Co atom carries a cyclopentadienyl ligand while the Fe atom coordinates to one carbonyl and one triphenylphosphine ligand. In the crystal structure, the cation is linked to the anion by a number of weak non-classical C—H⋯O and C—H⋯F hydrogen bonds and weak S⋯O (3.317 Å) and S⋯F (3.198 Å) interactions. The structure is further stabilized by additional intermolecular C—H⋯O, C—H⋯F and O⋯O (2.942 Å) contacts, together with an unusual S⋯π(Cp) interaction (S⋯centroid distance = 3.385 Å), generating an extended network.

[1]  F. Allen The Cambridge Structural Database: a quarter of a million crystal structures and rising. , 2002, Acta crystallographica. Section B, Structural science.

[2]  A. R. Manning,et al.  The cleavage of a coordinated SCNR group in [Fe(CO)2L2(η2-SCNR)] by [Co(η-C5H5)(PPh3)2] to give complexes containing μ3-CNR ligand. The preparation and structure of [{Co(η-C5H5)}2{Fe(CO)2(PPh3)}(μ3-S){μ3-CNC(O)C6H5}] , 1995 .

[3]  Ashley L. Ringer,et al.  Models of S/π interactions in protein structures: Comparison of the H2S–benzene complex with PDB data , 2007, Protein science : a publication of the Protein Society.

[4]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.

[5]  良二 上田 J. Appl. Cryst.の発刊に際して , 1970 .

[6]  G. Sheldrick A short history of SHELX. , 2008, Acta crystallographica. Section A, Foundations of crystallography.

[7]  Robin Taylor,et al.  Mercury: visualization and analysis of crystal structures , 2006 .

[8]  Olga Kennard,et al.  Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds , 1987 .

[9]  A. R. Manning,et al.  The cleavage of coordinated organoisothiocyanates to give heteronuclear clusters containing organoisocyanides as ligands , 1999 .

[10]  Anthony L. Spek,et al.  Journal of , 1993 .

[11]  Hagen Kleinert,et al.  Group Dynamics of Elementary Particles , 1968, 1968.

[12]  Owen Johnson,et al.  CIF applications. XV. enCIFer: a program for viewing, editing and visualizing CIFs , 2004 .

[13]  Louis J. Farrugia,et al.  ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI) , 1997 .

[14]  A. R. Manning,et al.  The cleavage of coordinated heterocumulenes. The reactions of [Fe(CO)2(PPh3)2(η-SCY)] and their analogues with [Co(η-C5H5)(PPh3)2] to give heteronuclear [{Co(η-C5H5)}2{Fe(CO)2(PPh3)}(μ3-S)(μ3-CY)] (Y=S or SR+) and related clusters , 1998 .