Fe_3(CO)_8(C_6H_5NC)(μ_3-S)_2的合成和晶体结构  

Synthesis and Crystal Structure of Fe_3(CO)_8(C_6H_5NC)(μ_3-S)_2

作　　者：陆庆玮 王一兵[1] 索全伶[1] 吴宝山[1] 孙杰[2] 

机构地区：[1]内蒙古工业大学化学工程系,呼和浩特010062 [2]中国科学院上海有机化学研究所金属有机开放实验室,上海200032

出　　处：《物理化学学报》1996年第6期532-536,共5页Acta Physico-Chimica Sinica

基　　金：内蒙古自然科学基金;中国科学院兰州化学物理研究所OSSO国家重点实验室基金

摘　　要：The title compound Fe3（CO）8（C6H5NC）（μ3-S）2 （Ⅰ） was synthesized bythe reaction of C6H5NCS with Fe3（CO）12 at room temperature. The crystal andmolecular structure of the title compound were determined by single ctystal diffratttionmethod- Crystal data: monoclinic, space group P21/C, a=12．718（4）A, b=26.164（10）A,c=l3.741（7）A, β=117.18（2） °, V=4067（2）A3, Z=8, Dc=1．825 g/cm3. The structure wassolved by direct method and difference Fourier synthesis, and refined by full-matrix Leastsquares with anisotropic thermal paramaters, using 1990 observed reflections [Ⅰ＞3σ（Ⅰ）].The final residual factor was R＝0．076, Rw＝0．082. The substituted ligand （C6H5NC）in Fe3（CO）8（C6H5NC）（μ3-S）2 is connected to the Fe（3） atom of the distorted tetragonalpyramid Fe3S2 framework.The title compound Fe_3(CO)_8(C_6H_5NC)(μ_3-S)_2 (Ⅰ) was synthesized bythe reaction of C_6H_5NCS with Fe_3(CO)_12 at room temperature. The crystal andmolecular structure of the title compound were determined by single ctystal diffratttionmethod- Crystal data: monoclinic, space group P2_1/C, a=12．718(4)A, b=26.164(10)A,c=l3.741(7)A, β=117.18(2) °, V=4067(2)A^3, Z=8, Dc=1．825 g/cm3. The structure wassolved by direct method and difference Fourier synthesis, and refined by full-matrix Leastsquares with anisotropic thermal paramaters, using 1990 observed reflections [Ⅰ＞3σ(Ⅰ)].The final residual factor was R＝0．076, Rw＝0．082. The substituted ligand (C_6H_5NC)in Fe_3(CO)_8(C_6H_5NC)(μ_3-S)_2 is connected to the Fe(3) atom of the distorted tetragonalpyramid Fe_3S_2 framework.

关 键 词：合成 晶体结构 铁硫簇合物 苯异腈基配体 

分 类 号：O614.811[理学—无机化学] O76[理学—化学]