1,4-diphenylbutadiyne, C16H10, crystallizes in monoclinic space group P21/n witha=6.6152(6),b=6.0768(7),c=14.634(1) Å, β=100.981(8)0,V=577.5(2) Å3,Z=2. The structure was refined toR=0.077 andRw=0.069 for 1007 observed reflections with CuKα radiation. The molecule lies on an inversion center. Our determination represents and increase in precision of a factor of approximately three over the original determination. The 2∶1 cobalt complex, C16H10Co2(CO)62, also crystallizes in monoclinic space group P21/n witha=8.9568(12),b=17.7057(10),c=18.5671(12) Å, β=90.606(12)o,V=2944.3(5) Å3,Z=4. The structure was refined toR=0.032 andRw=0.031 for 4312 observed reflections. The diphenylbutadiyne triple bonds elongate to 1.346(3) Å and the angles at the diyne C atoms decrease to 134.1(3)–144.9(3)oupon complexation. The Co-Co distance is 2.4580(4)Å. Our data represent an increase in precision by a factor of 2–3 over the original
展开▼
