[C_5H_7S_2]_2[(SbCl_3)_2S]的晶体结构

C_5H_7S_2]_2(SbC1_3)_2S]的晶体结构采用x射线衍射法测定。晶体属于卑斜晶系,空间群C2/c,a=14.531(2),b=11.265(2),c=15.364(3),B=112.72(1)°,Z=4。在CAD-4四圆衍射仪上收集数据,用重原子法解出结构并经全矩阵最小二乘法修正。R=0.067。研究表明,该离子晶体中,C_5H_7S_2]~+的C、S骨架具有平面构型,而(SbCl_3)_2S]~(2-)的构型是:Sb原子周围形成缺位的准三角双锥构型,两个Sb准三角双锥通过共用S桥形成二聚体,∠Sb-S-Sb=98°,整个阴离子具有C_2对称性。

The Crystal Structure of (C_5H_7S_2)_2 [SbCl_3)_2S]

The crystal structure of (C5H7S2)2 ((SbCl3)2S) has been determined by the heavy atom method and refined by full matrix least squares technique on CAD-4 diffractometer to R=0.067. The space group is C2/c with a=14.531(2), b=11.265(2), c=15.364(3)A. β=112.72(1) and 2=4. The result shows that the crystal is ionic,consisting of a planar five-membered ring (C5H7S2)+ cation and a((SbCl3)2S)2- anion. In the anion, each Sb atom makes use of foursp3d hybrid orbitals to combine with three Cl atoms and a bridging S atom to form a pseudo-trigonal bipyramidal configuration, there--by leaving an unused sp3d orbital for its lone-pair valence shell electrons. The anion as a whole has a C2 symmetry. The bond lengths are 2.57 and 2.70(A) for the axial Sb-Cl bond, 2.39(A) for the equatorial Sb-Cl bond, and 2.42(A) for the equatorial Sb-S bond respectively. The bond angles are 174O for the axial 4Cl-Sb-Cl and 94O for the equatorial 4Cl-Sb-S.