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[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。
[η ~ 3-C_3H_5Fe (CO) _3] _2 is synthesized from Fe_2 (CO) _9 and C_3H_5C1 at room temperature. The crystal belongs to the monoclinic system with a space group of P2_1 / n with unit cell parameters of a = 8.248 (1), b = 9.021 (5), c = 9.238 686.9 (6) °. According to fw = 361.9 and Z = 2 calculated density Dcal = 1.75g / cm ~ 3. 1643 independent diffraction data (I> 2σ (I)) were collected on a CAD4 four-circle diffractometer using MoKα radiation. The crystal and molecular structure of [η ~ 3-C_3H_5Fe (CO) _3] _2 was solved by direct method. The coordinate parameters and anisotropic thermal vibration parameters of all non-hydrogen atoms were corrected by full matrix least square method. (F) = 0.043. And R_2 (F) = 0.061, the molecule has Ci-1 symmetry. The Fe-Fe distance in the molecule is 3.028, which is obviously different from the Fe-Fe distance in [η ~ 3-C_3H_5Fe (CO) _3] _2 synthesized by Stucky and Muetterties [3.138].