Crystal Structure of Complex(Et4N)[VFe3S4Cl3(CH3CN)3]  

作　　者：朱红平 刘秋田 陈昌能 

机构地区：[1]State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou 350002

出　　处：《Chinese Journal of Structural Chemistry》2001年第1期19-23,共5页结构化学（英文）

基　　金：granted by NNSFC(No.29733090,39970177 and 29973047).

摘　　要：Complex (Et4N) [VFe3S4Cl3 (CH3CN)(3)] (1) has been obtained from (NH4)(3) VS4/FeCl2/NaHS/Et-4 NCl reaction system in CH3CN solvent and structurally characterized by X-ray diffraction analysis. It crystallizes in orthorhombic space group Pnma (No. 62) with a = 8.851(2), b =16.447(3), c = 19.448(4) Angstrom, V = 2865.6(10) Angstrom (3), Z = 4, M-r = 706.49, D-c =1.638g/cm(3), F(000)=1428, mu (MoK alpha)=2.385 cm(-1) and T = 293(2)K. With use of 1467 observed reflections (I >2 sigma (I)) the structure was refined to R = 0.0874 and wR = 0.2065. Complex 1 contains a VFe3S4 cuboidal core with average V - Fe distance of 2.759(4) Angstrom, which is a little longer than Fe - Fe of 2.716(3) Angstrom,. Around the core, each Fe atom is coordinated by one Cl atom and V atom by three N atoms of CH3CN ligands.Complex (Et4N) [VFe3S4Cl3 (CH3CN)(3)] (1) has been obtained from (NH4)(3) VS4/FeCl2/NaHS/Et-4 NCl reaction system in CH3CN solvent and structurally characterized by X-ray diffraction analysis. It crystallizes in orthorhombic space group Pnma (No. 62) with a = 8.851(2), b =16.447(3), c = 19.448(4) Angstrom, V = 2865.6(10) Angstrom (3), Z = 4, M-r = 706.49, D-c =1.638g/cm(3), F(000)=1428, mu (MoK alpha)=2.385 cm(-1) and T = 293(2)K. With use of 1467 observed reflections (I >2 sigma (I)) the structure was refined to R = 0.0874 and wR = 0.2065. Complex 1 contains a VFe3S4 cuboidal core with average V - Fe distance of 2.759(4) Angstrom, which is a little longer than Fe - Fe of 2.716(3) Angstrom,. Around the core, each Fe atom is coordinated by one Cl atom and V atom by three N atoms of CH3CN ligands.

关 键 词：synthesis crystal structure vanadium cluster iron cluster 

分 类 号：O614.811[理学—无机化学] O614.511[理学—化学]