Crystal and molecular structure of the tris(diphenylacetylene)molybdenum(0) monocarbonyl Mo(CO)(PhCCPh)3

Article abstract of DOI:10.1016/0022-328X(94)80009-X

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-ray diffraction method.The crystals are orthorhombic, of space group Pbca, a = 19.082(5) Angstroem, b = 22.068(5) Angstroem, c = 31.645(10) Angstroem, V = 1325.8(6) Angstroem³ and Z = 16.The structure solved by direct methods has been refined to R = 0.036 for 3919 observed reflections.There are two crystallographically independent molecules in the asymmetric unit.The nuclear magnetic resonance as well as the IR and electronicabsorption spectroscopies have been used to scrutinize the title compound.Key words: Molybdenum; Carbonyl; Crystal structure