MOLECULAR AND VALENCE STRUCTURES OF COMPLEXES OF CYCLOOCTATETRAENE WITH IRON TRICARBONYL

Structure determinations by X-ray diffraction methods indicate that FeCO3 units are bonded to a butadiene type of residue in C8H8FeCO3I, and in OC3FeC8H8FeCO3 II, where the two FeCO3 units are on opposite sides of the C8H8 ring. The dihedral C8H8 ring in I and the chair C8H8 ring in INES, Cyclo octatetraene, Monocyclic compounds, Carbonyl radicals, Single crystals, Crystal structure, Valence, Chemical bonds. Structure determinations by X-ray diffraction methods indicate that FeCO3 units are bonded to a butadiene type of residue in C8H8FeCO3I, and in OC3FeC8H8FeCO3 II, where the two FeCO3 units are on opposite sides of the C8H8 ring. The dihedral C8H8 ring in I and the chair C8H8 ring in II are previously unknown and unsuspected geometries for cyclooctatetraene. Crystals of I have symmetry Pnam, within ex perimental error, with four molecules in a unit cell defined by the parameters a 6.54, b 13.46, c 11.50 angstroms. Crystals of II are of symmetry P2 sub 1n, with four molecules in a unit cell which has parameters a 12.52, b 13.38, c 8.86 and beta 111 degrees. The bonding of Fe to the butadiene-like resi ues is discussed.