【摘要】 <正> 含第Ⅵ族主族混合金属的原子簇化合物可作为重要的催化剂,特别是Mo-Fe-S原子簇化合物,除可作为加氢脱硫催化剂外,又可能是固氮酶活性中心的模型物。以第Ⅵ族主族元素为桥的Mo,Fe混合金属原子簇化合物具有多种结构类型。现在,我们又成功地合成出一种至今未见报道的新结构类型的标题化合物。（η⁵-C₅H₅）₄Mo₄Fe₂（μ₃-S）₅（CO）₅由（η⁵-C₅H₅）₂MO₂（CO）₆和Fe₃S₂（CO）₉在甲苯中反应制得。它的晶体和分子结构从单晶X射线结构分析方法获得。结晶学参数如下:单斜晶系,空间群P2₁/n,a=10.589（4）,b=17.260（4）,c=18.963（4）A,β=101.44（2）°,V=3396.7A³。根据Z=4,M_r=1056.2,算得D_calc.=2.065 g/cm³。在Enraf-Nonius CAD4衍射仪上,用更多还原

【Abstract】 The title compound has been prepared by reaction of （η⁵-C₅H₅）₂MO₂（CO）₆ and Fe₃S₂ （CO）₉ in toluene, and its crystal and molecular structures were studied by X-ray structure analysis. Crystallographic data are as follows: monoclinic, space group P2₁/n,a=10.589（4）,b=17.260（4）,c=18.963 （4） A,β=101.44（2）° V=3396.7A³, D_x=2.065g/cm³ for Z=4, and M_r=1056.2. X-ray data were obtained over the range of 2°<2θ<50°via the ω-2θ scan mode with Mo Kα radiation. The structure was solved by direct method （MULTAN） and refined by full matrix least-squares technique for 3993 reflections with I>2σ-（I）. The final R is 0.081. Figure 1 in Chinese Text illustrates the conformation of the skeleton in the molecule, composing of cubane-like [FeMo₃S₄] core and trigonal pyramid [MoFe₂S] core, which linked through sharing Fe （1） atom. The title compound is a novel product and an interesting structural type. More detailed results of the synthesis and structural characterization are forthcoming.更多还原