The structure of cis-Fe2(CO)2(π-C5H5)2(μ-CO)[μ-CC(CN)2] has been determined from three-dimensional X-ray data collected by counter methods. The dark-red compound crystallizes in space group Cc2h (P21/c) of the monoclinic system with two independent dimeric molecules in the asymmetric portion of a unit cell of dimensions a = 7.218(1), b = 33.275(6), c = 13.364(2) Å, and β = 99.71(1)°. The observed and calculated densities are 1.64(2) g cm-3 and 1.69 g cm-3, respectively. Least-squares refinement led to a final value of the conventional R index (on F) of 0.135 for the 2577 reflections having F0 > 0.0. The value of R is 0.084 for those reflections having F02 > 3σ (F02). The structure consists of discrete dimeric molecules with bridging dicyanovinylidene and bridging carbonyl ligands, and cis-cyclopentadienyl rings. The average value for the FeFe distance is 2.511(4) Å. The dicyanovinylidene ligand is planar and symmetrically bridges the two iron atoms. The average FeC (of dicyanovinylidene) distance is 1.87(4) Å. The average FeC (of bridging CO) distance is 1.94(3) Å.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry
- Materials Chemistry