Conformations of fused cycloalkanes in organometallic compounds

Abstract

The structure of tricyclo [6.2.0.02,7] deca-3,5-dienetricarbonyliron, (C10H12)Fe(CO)3, has been determined from X-ray counter data. The space group is P212121 with cell dimension a 11.785(3), b 16.987(7), c 6.032(2) » and with four molecules in the cell. The 1359 reflections, in the range 0° < 20 (Mo-Kα) ⩽ 45°, with intensities significantly above background were included in the refinement which converged to R1 = 0.033 and R2 = 0.029. The molecular structure consist of an Fe(CO)3 moiety bonded to the diene portion of a cyclohexadiene ring. This six-membered ring is fused to a second four-membered ring. Both four-membered rings are essentially planar.