CRYSTAL AND MOLECULAR-STRUCTURES OF [(EXO-(RO)2P(O)-ETA(5)-C6H6)MN(CO)3 AND ENDO-(RO)2P(O)-ETA(5)-C6H6)MN(CO)3]

The crystal and molecular structures of [{exo-(EtO)2P(O)-eta5-C6H6}Mn( CO)3] (1) (Et) and [{endo-(MeO)2P(O)-eta5-C6H6}Mn(CO)3] (2) (Me) have been established by an X-ray structural study. Compound 1 (Et) crystal lizes in the space group P2(1)/c with the unit cell dimensions a = 12. 839(4), b = 13.982(4), c = 15.188(5) angstrom, beta = 96.33(2)-degrees , V = 2709.78(1.40) angstrom3 and D(calc) = 1.59 g/cm3 for Z = 4. Refi nement converged at R = 0.0509, R(w) = 0.0477, based on 2721 observed reflections with intensities I > 3sigma(I). Compound 2 (Me) crystalliz es in C2/c with the unit cell dimensions a = 18.466(4), b = 12.377(2), c = 14.267 angstrom, beta = 92.90(1)-degree, V = 3256.67(1.02) angstr om3 and D(calc) = 1.45 g/cm3 for Z = 8. Refinement converged at R = 0. 0652 R(w) = 0.0718, based on 2580 observed reflections with intensitie s I > 3sigma(I).