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Citation: Liu Qiwang, Hu Yucai, Li Fongzhe, Huang Jinshun. THE CRYSTAL AND MOLECULER STRUCTURE OF ACETYL FERROCENE[J]. Acta Physico-Chimica Sinica, ;1986, 2(01): 68-72. doi: 10.3866/PKU.WHXB19860111 shu

THE CRYSTAL AND MOLECULER STRUCTURE OF ACETYL FERROCENE

1.
Department of Chemistry, Neimenggu University; Fujian Institcte of Research on the Structure of Matter, Academia Sinica

Received Date: 11 March 1985
Available Online: 15 February 1986

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.
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