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

Crystal Structure of Complex (Et_4N)[VFe _3S_4Cl_3(CH_3CN)_3]
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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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 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).
关键词 synthesis crystal structure vanadium cluster iron cluster synthesis crystal structure vanadium cluster iron cluster
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