Acta Phys. -Chim. Sin. ›› 1996, Vol. 12 ›› Issue (06): 532-536.doi: 10.3866/PKU.WHXB19960611

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Synthesis and Crystal Strucutre of Fe3(CO)8(C6H5NC)(μ3-S)2

Lu Qing-Wei,Wang Yi-Bing,Suo Quan-Ling,Wu Bao-Shan,Sun Jie   

  1. Department of Chemical Engineering,Inner Mongolia Polytechnic Univeristy,Hohhot 010062|Laboratory of Organometallic Chemistry,Shanghai Institute of Organic Chemistry,Chinese Academy of Sciences,Shanghai 200032
  • Received:1995-08-29 Revised:1996-01-22 Published:1996-06-15
  • Contact: Suo Quan-Ling


The title compound Fe_3(CO)_8(C_6H_5NC)(μ_3-S)_2 (Ⅰ) was synthesized by the reaction of C_6H_5NCS with Fe_3(CO)_12 at room temperature. The crystal and molecular structure of the title compound were determined by single ctystal diffraction method. Crystal data: monoclinic, space group P2_1/C, a=12.718(4)Å, b=26.164(10) Å, c=l3.741(7) Å, β=117.18(2) °, V=4067(2) Å3, Z=8, Dc=1.825 g/cm3. The structure was solved by direct method and difference Fourier synthesis, and refined by full-matrix Least-squares 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 tetragonal pyramid Fe_3S_2 framework.

Key words: Synthesis, Crystal structure, Sulfuro-iron cluster, Isocyanide derivative