Crystal and Molecular Structure of （μ—FcCO）（μ—t—BuS）Fe2（CO）6

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Crystal and Molecular Structure of (μ-FcCO ) (μ-t-BuS )Fe_2(CO)_6

The title complex (μ-FcCO) (μ-t-BuS)Fe_2(CO)_6(Fc=ferrocenoyl)crystallizes in the orthorhombic space group Pbca with a=11.910 (2), b=13. 303(3),c=29. 037(1) A,V=4601(4) A3, M_r= 581. 98, Z= 8, D_x=1.68g/cm3, μ=19. 93 cm-1, and F(000)=2352. Refinement by fullmatrix least-squares techniqueshas resulted in residuals of R=0.055 and R_w=0.049, based on 1877 unique reflections. The molecular structure reveals a short distance between metallic centers [Fe(1)-Fe(2)=2.5394 A], indicating the existence of a metalmetal bond. Fe(1) and Fe(2) atoms are bridged by the tbutylthio ligand and the acyl of ferrocenoyl. Fe (1) issurrounded by Fe(2), S, C and three carbonyl carbon atoms to form a distorted octahedron, while Fe (2) is surrounded by Fe(1), S, O and other three carbonyl carbonatoms to form another distorted octahedron. The cyclopentadienyl rings are nearly eclipsed and the π-electron system of the bridged acyl is conjugated with the aromatic cyclopentadenyl ring in the ferrocenoyl moiety.