| 二甲基-2'-乙酰基双二茂铁甲烷的晶体和分子结构 |
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| 引用本文： | 孙忠,胡玉才,李哲,黄锦顺.二甲基-2'-乙酰基双二茂铁甲烷的晶体和分子结构[J].结构化学,1988(4). |
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| 作者姓名： | 孙忠 胡玉才 李哲 黄锦顺 |
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| 作者单位： | 内蒙古地质实验测试中心
(孙忠)，苏州城建环保学院
(胡玉才)，内蒙古兽药监督检验所
(李哲)，福建物质结构研究所(黄锦顺) |
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| 摘 要： | 二甲基-2′-乙酰基双二茂铁甲烷C_5H_5FeC_5H_4C(CH_3)_2C_5H_4FeC_5H_4COCH_3为深紫色菱形晶体,m.p.115.5～116.5℃。它属单斜晶系,P2_1/c空间群。晶胞参数为:a=11.626(1),b=13.219(1),c=13.078(2)A,β=90.67(1),V=2009.8A~3,Z=4,Dc=1.501g/cm~3。用MULTAN-78直接法程序求解晶体结构,最后偏离因子R=0.040。中心C原子周围的四个基团以变形四面体取向,分子本身不具有任何对称性。
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Crystal and Molecular Structure of Bimethyl-2'-Acetyldiferrocenylmethane |
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| Abstract: | The crystal and molecular structure of the title compound was determined by x-ray analysis. The crystal is monoclinic, belonging to space group P21/c with cell dimensions a = 11.626(1),b=13.219(1), c = 13.078(2 )A,β=90.67(1)° Z = 4, De=1.501g/cm3. The structure was solved by direct methods with MUL-TAN-78 program and refined by full-matrix least-squares for 2628 unique reflections to the residual factor R= 0.040. In the title molecule, there are two CH3 groups, one Fc(C5H5FeC5H4)and one Fc'-COCH3(Fc'=C6H4FeC5H4)around central carbon atom, showing deformed tetrahedral geometry. The molecule has no symmetry. |
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