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乙酰基二茂铁的晶体和分子结构

THE CRYSTAL AND MOLECULER STRUCTURE OF ACETYL FERROCENE

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【作者】 刘启旺胡玉才李逢泽黄锦顺

【Author】 Liu Qiwang Hu Yucai Li Fongzhe (Department of Chemistry, Neimenggu University) Huang Jinshun (Fujian Institcte of Research on the Structure of Matter, Academia Sinica)

【机构】 内蒙古大学化学系内蒙古大学化学系中国科学院福建物质结构研究所

【摘要】 <正> 乙酰基二茂铁是按付氏酰基化反应制备的,在CH2Cl2溶剂中培养得到血红色柱状晶体,经元素分析及结构分析共分子式为C12H12OFe。在CAD4-四园衍射仪上用Mo Ka射线以θ—2θ扫描在3°≤2θ≤56°范围收集衍射数据,经LP因子及经验

【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 CAD4 diffractometer with Mo-Kα radiation. The crystal belongs to space group P21/c with cell dimensions a=18.807(3), b=5.786(1)。c=20.557(6), 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 ferroeene molecules in an asymmetric unit. The geometrical features of the molecules as well as the characteristics of the molecular packing in the unit cells are considerd.

  • 【文献出处】 物理化学学报 ,Acta Physico-Chimica Sinica , 编辑部邮箱 ,1986年01期
  • 【被引频次】6
  • 【下载频次】178
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