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用Fe_3(CO)_(12)与亚磷酸三硫代苯酯P(SC_6H_5)_3反应得到标题化合物。P(SC_6H_5)_3以其裂解分子片SC_6H_5和P(SC_6H_5)_2配位。用X-ray衍射技术测定了该化合物的晶体结构,晶体属正交晶系,空间群为Pbca,a=17.422(7),b=10.634(6),c=28.987(12)A;V=5370A~3,z=8,D_c=1.579g·cm~(-3)。由直接法和差值Fourier合成解出全部非氢原子坐标,并用全矩阵最小二乘法修正,最后偏离因子R=0.054,R_w=0.058, 分子结构中心的Fe_2SP折叠环沿S…P线或沿Fe-Fe键折叠的二面角(分别为76.1°和82°)比其它具有中心Fe_2S_2,Fe_2P_2和Fe_2SP折叠环的类似化合物中的相应值小,Fe-Fe键长为2.572A,Fe-S(1)-Fe=68.6°,Fe-P-Fe=70.7°。
The title compound was obtained by reaction of Fe_3 (CO) _ (12) with tristhiophenyl phosphite P (SC_6H_5) _3. P (SC_6H_5) _3 coordinates with its cleavage molecule SC_6H_5 and P (SC_6H_5) _2. The crystal structure of the compound was determined by X-ray diffraction. The crystal belongs to the orthorhombic system with space group Pbca, a = 17.422 (7), b = 10.634 (6), c = 28.987 5370A ~ 3, z = 8, D_c = 1.579g · cm ~ (-3). The coordinates of all non-hydrogen atoms were solved by direct method and difference Fourier synthesis, and corrected by the full matrix least square method. The final deviation factor R = 0.054, R_w = 0.058. The Fe 2 SP folding ring in the center of the molecular structure along S ... P line or along Fe The dihedral angle (-76.1 ° and 82 °) of -Fe bond folding was smaller than that of other similar compounds with central Fe_2S_2, Fe_2P_2 and Fe_2SP folding rings, respectively. The Fe-Fe bond length was 2.572A and the Fe-S 1) -Fe = 68.6 °, Fe-P-Fe = 70.7 °.