| 含烯烃配位体的金属原子簇研究 [η~3—C_3H_5Fe(CO)_3]_2的合成和晶体结构 |
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| 引用本文： | 黄锦顺,王曼芳,黄金陵,卢嘉锡.含烯烃配位体的金属原子簇研究 [η~3—C_3H_5Fe(CO)_3]_2的合成和晶体结构[J].结构化学,1983(3). |
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| 作者姓名： | 黄锦顺 王曼芳 黄金陵 卢嘉锡 |
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| 作者单位： | 中国科学院福建物质结构研究所
(黄锦顺，王曼芳，黄金陵)，中国科学院福建物质结构研究所(卢嘉锡) |
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| 摘 要： | η~3-C_3H_5Fe(CO)_3]_2是由Fe_2(CO)_9和C_3H_5C1在常温下合成得到的。晶体属单斜晶系,空间群为P2_1/n,单胞参数为:a=8.248(1),b=9.021(5),c=9.238(2),β=91.99(1)°,V=686.9(6)°。根据fw=361.9和Z=2计算密度Dcal=1.75g/cm~3。在CAD4四圆衍射仪上用MoKα射线收集了独立衍射数据1643个(I>2σ(I))。η~3-C_3H_5Fe(CO)_3]_2的晶体和分子结构是用直接法解出,所有非氢原子的坐标参数和各向异性热振动参数经全矩阵最小二乘法修正,最后偏离因子 R_1(F)=0.043。和R_2(F)=0.061,分子具有Ci—1对称性。分子中Fe—Fe距离为3.028,这个数值同Stucky和Muetterties合成的η~3-C_3H_5Fe(CO)_3]_2中Fe—Fe距离为3.138有明显的差别。
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Synthesis and Crystal Structure of η~3-Allyl Transition Metal Complex, [η~3-C_3H_5Fe(CO)_3]_2 |
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| Abstract: | η3-C3H5Fe(CO)3]2 was prepared by reacting Fe2(CO)9 with C3H5Cl for 3 hrs. at room temperature in hexane.The crystal and molecular structures of η3-C3H5Fe(CO)3]2 werestudied by X- ray structure analysis. X-ray diffraction data were collected on an Enraf Nonius CAD4 diffractometer with graphite-monochromatic MoKa radiation. Crystallographic data are as follows: monoclinic, space group P2 ; unit cell: a = 8.248(1), b = 9.021(5), c = 9.238(2)A, β =91.99(1), V = 686.9(6).A3, Dcalc = 1.75g/cm3 for Z = 2 and fw = 361.9.The structure was solved by direct method (Multan) and refined by full matrix least-squares techniques for 1643 reflections with I > 2 σ(I), R1(F) = 0.043 and R2(F) = 0.061. The iron-iron bond in (n3-C3H5Fe(CO)3]2 has a length of 3.028A, which differs significantly from the 3.138A given in η3-C3H5Fe(CO)3]2 by Stucky and Muetterties, |
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