CRYSTAL AND MOLECULAR-STRUCTURE OF THE TRIS(DIPHENYLACETYLENE)MOLYBDENUM(O) MONOCARBONYL MO(CO)(PHC-EQUIVALENT-TO-CPH)3

The crystal structure of Mo(CO)(PhC=CPh)3 formed in the reaction of Mo (CO)6 with diphenylacetylene was determined by the single-crystal X-ra y diffraction method. The crystals are orthorhombic, of space group Pb ca, a = 19.082(5) angstrom, b = 22.068(5) angstrom, c - 31.645(10) ang strom, V = 1325.8(6) angstrom3 and Z = 16. The structure solved by dir ect methods has been refined to R = 0.036 for 3919 observed reflection s. There are two crystallographically independent molecules in the asy mmetric unit. The nuclear magnetic resonance as well as the IR and ele ctronic absorption spectroscopies have been used to scrutinize the tit le compound.