Abstract
The crystal structure of [3]ferrocenophane-1,3-dione has been determined by X-ray diffraction methods. This compound, C 13H 10FeO 2, crystallizes in the monoclinic space group P2 1/ c. The unit cell contains four molecules and has the dimensions a 7.775(8), b 9.697(12) and c 14.669(11) Å. The structure was solved by Patterson and Fourier syntheses and refined by the full-matrix least-squares method to R = 0.036 for 2087 independent reflections. The two cyclopentadienyl rings are tilled 9.8° with respect to each other. The average ring carbon—carbon bond distance is 1.428 Å and the average ring bond angle is 108°. The strain in the molecule is apparent by the fact that the bond angles in the bridge are less than normal by about 3–6°.
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