Crystal and molecular structure of tricarbonyl(decafluorocyclohepta-1,3-dienyl)iron
Abstract
The crystal and molecular structure of the title compound (I) has been determined by a single-crystal X-ray analysis from three-dimensional counter data. Crystals are orthorhombic, space group Pnma, with Z= 4 in a cell of dimensions a= 11·305, b= 12·110, c= 9·075 (all ± 0·010)Å. The structure was established by direct methods and refined by least squares to R 3·7% for 1066 structure amplitudes. The complex has exact Cs symmetry. The boat-like conformation of the ring and molecular dimensions (bond length σ 0·003–0·007 Å) are consistent with a significant contribution to the metal–cycloheptadiene bonding of a σ–π type of interaction.