| 含氮宾或卡宾的金属羰基簇合物的结构化学研究——Ⅰ.H2Fe3(N-C6H5)(CO)9和Fe3(N-C6H5)(μ3-CO)(CO)9的合成和结构 |
| STRUCTURAL CHEMISTRY OF NITRENE OR CARBENE CONTAINING METAL CARBONYL CLUSTER Ⅰ. SYNTHESES AND CRYSTAL STRUCTURES OF H2Fe3(CO)9(μ3-NC6H5)AND Fe3(CO)9(μ3-CO) |
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| 摘要: 含氮宾的两个三核羰基铁簇合物是由[Et3NH][HFe3(CO)11]与C6H5NCO在苯中反应获得.应用四园衍射仪测定了H2Fe3(N-C6H5)(CO)9(Ⅰ)和Fe3(N-C6H5)(μ3-CO)(CO)9(Ⅱ)的晶体结构.晶体数据为:C15H7NO9Fe3(Ⅰ),空间群P21/a,a=18.343(2),b=9.072(1),c=11.451(1)Å,β=102.03(1)°,V=1863.7Å3,Z=4,Dc=2.143g/cm3;C16H5NO10Fe3(Ⅱ),空间群P21/c,a=8.634(1),b=13.026(1),c=17.642(2)Å,β=97.68(1)°,V=1966.3Å3,Z=4,Dc=1.820g/cm结构系用直接法解出,最后RⅠ因子为0.033,RⅡ因子为0.027.测定结果表明,(Ⅰ)和(Ⅱ)分子均具有Cs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1.896-1.938Å和2.006-2.110Å之间. |
| 关键词: 羰合铁簇 含氮宾配合物 晶体结构 |
| 基金项目: |
| Abstract: The nitrene containing trinuclear iron carbaonyl clusters were prepared by reacting(Et3NH)(HFe3(CO)11)with C6H5NCO in benzene.The crystal structure of H2Fe3(CO)9(μ3-NC6H5)and Fe3(CO)9(μ3-CO)(μ3-NC6H5)have been determined by single crystal diffractometry. Crystal data:(Ⅰ)C15H7NO9Fe3, space group P21/a, a=18.343(2), b=9.072(1), c=11.451(1)Å,β=102.03(1), V=1863.7 Å3,Z=4,Dc=2.143gcm-3;(Ⅱ)C16H5NO10Fe3,space group P21/c,a=8.634(1), b=13.026(1), c=17.642(2)Å, β=97.68(1), V=1966.3Å3, Z=4, Dc=1.820gcm-3. Based on observed MoKx data, the structures were solved by direct method and refined to R(Ⅰ)=0.033 for 1796 reflections, and R(Ⅱ)=0.027 for 2679 reflections. All three iron interactions are bonding((Ⅰ)2.577, 2.573, 2.510A;(Ⅱ)2.571, 2.553, 2.510A)and define a nearly equilateral triangle. The molecular configurations and Fe-N, Fe-Fe distances are discussed together with the electron distribution relationships. |
| Keywords: iron carbonyl cluster nitrene containing complex crystal structure |
| 投稿时间：1988-08-24 |
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| 刘启旺,胡襄,刘树堂,苏海全,王博义,汪明.含氮宾或卡宾的金属羰基簇合物的结构化学研究——Ⅰ.H2Fe3(N-C6H5)(CO)9和Fe3(N-C6H5)(μ3-CO)(CO)9的合成和结构[J].无机化学学报,1991,7(2):202-207. |
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