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含氮宾的两个三核羰基铁簇合物是由[Et_3NH][HFe_3(CO)_(11)]与C_6H_5NCO在苯中反应获得。应用四园衍射仪测定了H_2Fe_3(N-C_6H_5)(CO)_9(Ⅰ)和Fe_3(N-C_6H_5)(μ_3-CO)(CO)_9(Ⅱ)的晶体结构。晶体数据为:C_(15)H_7NO_9Fe_3(Ⅰ),空间群P2_1/a,a=18.343(2),b=9.072(1),c=11.451(1)(?),β=102.03(1)°,V=1863.7(?)~3,Z=4,D_c=2.143g/cm~3;C_(16)H_5NO_(10)Fe_3(Ⅱ),空间群P2_1/c,a=8.634(1),b=13.026(1),c=17.642(2)(?),β=97.68(1)°,V=1966.3(?)~3,Z=4,D_c=1.820g/cm结构系用直接法解出,最后R_(Ⅰ)因子为0.033,R_(Ⅱ)因子为0.027。测定结果表明,(Ⅰ)和(Ⅱ)分子均具有C_s对称性,且三个Fe原子共面,呈近似等边三角形结构。(Ⅰ)中面桥N原子以不对称方式与三个Fe原子成键;(Ⅱ)中面桥羰基以不对称方式与三个Fe原子键连。Fe-N和Fe-C键长分别在1.896-1.938(?)和2.006-2.110(?)之间。
The two tri-nuclear carbonyl iron clusters of nitrogenous guest are obtained by the reaction of [Et_3NH] [HFe_3 (CO) _ (11)] with C_6H_5NCO in benzene. The crystal structure of H_2Fe_3 (N_C_6H_5) (CO) _9 (Ⅰ) and Fe_3 (μ_3-CO) (CO) _9 (Ⅱ) The crystal data are: C_ (15) H_7NO_9Fe_3 (Ⅰ), space group P2_1 / a, a = 18.343 2, b = 9.072 1, c = 11.451 1, β = 102.03 1 (16) H_5NO_ (10) Fe_3 (Ⅱ), space group P2_1 / c, a = 8.634 (1), b = 1863.7 (?) ~ 3, Z = 4 and D_c = 2.143g / = 13.026 (1), c = 17.642 (2) (?), Β = 97.68 (1) °, V = 1966.3 (?) ~ 3, Z = 4 and D_c = 1.820g / cm. , The final R_ (Ⅰ) factor is 0.033, the R_ (Ⅱ) factor is 0.027. The results show that both (Ⅰ) and (Ⅱ) molecules have C_s symmetry, and the three Fe atoms are coplanar with an approximately equilateral triangular structure. (Ⅰ) The middle bridge N atom asymmetrically bonds with three Fe atoms. (Ⅱ) The middle bridge carbonyls are asymmetrically linked to three Fe atoms. Fe-N and Fe-C bond lengths were between 1.896-1.938 (?) And 2.006-2.110 (?), Respectively.