Acta Phys. -Chim. Sin. ›› 1986, Vol. 2 ›› Issue (01): 68-72.doi: 10.3866/PKU.WHXB19860111

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THE CRYSTAL AND MOLECULER STRUCTURE OF ACETYL FERROCENE

Liu Qiwang; Hu Yucai; Li Fongzhe; Huang Jinshun   

  1. Department of Chemistry, Neimenggu University; Fujian Institcte of Research on the Structure of Matter, Academia Sinica
  • Received:1985-03-11 Revised:1985-07-05 Published:1986-02-15

Abstract: The crystal and molecular structure of the title compound was determined by X-ray analysis. The intensities of 2991 independent reflections with I>2σ were measured by an Enraf-Nonius CAD_4 diffractometer with Mo-K_α radiation.
The crystal belongs to space group P21/c with cell dimensions a=1.8807(3), b=0.5786(1)。c=2.0557(6) nm, β=116.86(1)°and z=8.
The structure was solved by Patterson function and direct method, and refined by full matrix least squares with 2991 (I>2σ) reflections. The refinement converged at R=0.035.
There are two acetyl ferrocene molecules in an asymmetric unit. The geometrical features of the molecules as well as the characteristics of molecular packing in the unit cells are considerd.