引用本文:
刘启旺, 胡玉才, 李逢泽, 黄锦顺. 乙酰基二茂铁的晶体和分子结构[J]. 物理化学学报,
1986, 2(01): 68-72.
doi:
10.3866/PKU.WHXB19860111
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
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
乙酰基二茂铁的晶体和分子结构
English
THE CRYSTAL AND MOLECULER STRUCTURE OF ACETYL FERROCENE
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.
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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