T. Szymanskabuzar et T. Glowiak, CRYSTAL AND MOLECULAR-STRUCTURE OF THE TRIS(DIPHENYLACETYLENE)MOLYBDENUM(O) MONOCARBONYL MO(CO)(PHC-EQUIVALENT-TO-CPH)3, Journal of organometallic chemistry, 467(2), 1994, pp. 223-230
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.