文献类型：期刊文献

中文题名：Synthesis and Crystal Structure of [Cp_2Ln(OC(SEt)NPh )]_2

英文题名：Synthesis and Crystal Structure of [Cp_2Ln(OC(SEt)NPh )]_2

作者：ZHANG Chun-Mei[1,2];LIU Rui-Ting[1];ZHOU Xi-Geng[1]

机构：[1]Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Fudan University, Shanghai 200433, China;[2]Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China

年份：2006

卷号：25

期号：2

起止页码：131

中文期刊名：Chinese Journal of Structural Chemistry

外文期刊名：结构化学（英文）

收录：Scopus;北大核心:【北大核心2004】；CSCD:【CSCD2011_2012】；

基金：This work was supported by the National Natural Science Foundation of China (No. 20372016)

语种：英文

中文关键词：organolanthanide;isocyanate;insertion;structure;cyclopentadienyl

外文关键词：organolanthanide, isocyanate, insertion, structure, cyclopentadienyl

摘要：Treatment of Cp3Y with EtSH, followed by reaction with an equivalent of PhNCO, yielded the dinuclear complex [Cp2Y（μ-η^1：η^3-OC（SEt）NPh）]2. The structure was characterized by elemental analysis, IR, MS and single-crystal X-ray diffraction analysis. The title compound crystallizes in triclinic, space group P1^- with a = 8.643（3）, b = 10.752（4）, c = 11.161（4）A°, α= 117.840（5）, β = 94.086（5）, γ= 101.008（5）°, V = 884.8（6） A°^3, Z = 1, Mr = 798.66 （C38H40N2O2S2Y2）, λ（MoKα） = 0.710730 .A°, ,μ= 3.417 mm^-1, Dc = 1.499 g/cm^3, F（000） = 408, the final R = 0.0453 and wR = 0.1007 for 3067 unique reflections （Rint = 0.0317） with 2357 observed ones （I 〉 2σ（I））. X-ray analysis reveals an unusual bonding mode of the OC（SEt）NPh ligand and the OCN fragment acts as a both bridging and side-on chelating ligand. Each yttrium atom is coordinated by two η^5-cyclopentadienyl groups, one chelating η^3-OC（SEt）NPh ligand and one bridging O atom from another η^3-OC（SEt）NPh ligand.
Treatment of Cp3Y with EtSH, followed by reaction with an equivalent of PhNCO, yielded the dinuclear complex [Cp2Y（μ-η^1：η^3-OC（SEt）NPh）]2. The structure was characterized by elemental analysis, IR, MS and single-crystal X-ray diffraction analysis. The title compound crystallizes in triclinic, space group P1^- with a = 8.643（3）, b = 10.752（4）, c = 11.161（4）A°, α= 117.840（5）, β = 94.086（5）, γ= 101.008（5）°, V = 884.8（6） A°^3, Z = 1, Mr = 798.66 （C38H40N2O2S2Y2）, λ（MoKα） = 0.710730 .A°, ,μ= 3.417 mm^-1, Dc = 1.499 g/cm^3, F（000） = 408, the final R = 0.0453 and wR = 0.1007 for 3067 unique reflections （Rint = 0.0317） with 2357 observed ones （I 〉 2σ（I））. X-ray analysis reveals an unusual bonding mode of the OC（SEt）NPh ligand and the OCN fragment acts as a both bridging and side-on chelating ligand. Each yttrium atom is coordinated by two η^5-cyclopentadienyl groups, one chelating η^3-OC（SEt）NPh ligand and one bridging O atom from another η^3-OC（SEt）NPh ligand.