Crystal and molecular structure of 1-(dicarbonyl-π-cyclopentadienylferrio)-2-(phenyl)-ethyne

Abstract

Crystals of the title compound are monoclinic, a= 9·473(2), b= 9·796(2), c= 13·387(3)°Å, β= 109·70(2)°, space group P2₁/n, Z= 4. The structure was solved by conventional methods from 1696 intensity data collected on a diffractometer and has been refined to R 0·060. The (π-C₅H₅)Fe(CO)₂ fragment has the same geometry as in many other compounds, and the acetylenic linkage is essentially linear. There are no significant intermolecular interactions. The bond lengths of the metal ethynyl group (Fe–C 1·91, –CC– 1·21, and C–Ph 1·44 Å) provide a useful comparison with those in other acetylenes.