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[1]
..Koelle; U;.New J. Chem.1992,
SynthesisandCrystalStructureofaModelfortheActiveSitesofFe-onlyHydrogenases:[Fe2（SCH2）2N（3-PhCF3）(CO)6]2
被引：0
作者：
程岚霞
马成丙
胡明强
陈昌能
刘秋田
机构：
[1] StateKeyLaboratoryofStructuralChemistry,FujianInstituteofResearchontheStructureofMatter,TheChineseAcademyofSciences
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D O I：
暂无
中图分类号：
O627.81 [];
学科分类号：
070303 ;
081704 ;
摘要：
A model compound for the active sites of Fe-only hydrogenases, [Fe2(SCH2)2N(3-PhCF3)(CO)6]2, has been synthesized and structurally characterized by single-crystal X-ray dif-fraction. It crystallizes in tetragonal, space group P43, with a = 12.6324(3), b = 12.6324(3), c = 24.0453(12) , V = 3837.1(2) 3, Z = 4, Fe4S4N2C30O12F6H16, Mr = 1062.09, Dc = 1.839 g/cm3, μ(MoKα) = 1.791 mm-1, F(000) = 2112, T = 293(2) K, Flack = 0.034(9), R = 0.0282 and wR = 0.0685 for 8148 observed reflections with I > 2σ(I). In the title compound, each FeI atom is coor-dinated by three terminal carbonyl C atoms (Fe–C: 1.783(3)～1.816(3) ), two bridging S atoms (Fe–S: 2.2609(7)～2.2757(8) ) and another Fe atom (Fe–Fe 2.5011(5) ), adopting a distorted octahedral geometry with trans angles ranging from 152.45(11) to 157.77(10)°.
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页码：113 / 117
页数：5
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