配合物3AgNO_3·2[C_3H_7S(CH_2)_2SC_3H_7]的晶体结构

The Crystal Structure of Complex 3AgNO_3·2 [C_3H_7S(CH_2)_2SC_3H_7]

本文测定了配合物3AgNO_3·2BPrTE的晶体结构,该晶体属三斜晶系,空间群为PI,晶胞参数:a=0.8945(1),b=1.2355(2),c=1.357g(5)nm;α=98.69(2)°,β=92.74(2)。,γ=90.45(1)°;V=1.480nm^3;Z=2.分子中三个Ag原子的配位数均为5,但它们的配位多面体各不相同,Ag(3)为四方锥体,Ag(2)为三角双锥,Ag(1)则介于两者之间.NO_3^-以单齿、不等长双齿和等长双齿两种形式配位于Ag原子.配体BPrTE也具有两种构象,反式构象具有C_i。对称性,并以两种形式和Ag原子配位,偏转式构象不具有C_i对称性,与Ag原子形成五元螯合环.分子为三维无限长链结构.

The crystal structure of complex 3AgNO_3·2L[L-1, 2-bis(propylthio)ethane] has been determined by X-ray diffraction analysis. The complex is triolinio with spaoe group P1, a=0.8945(l), 6=1.2355(2), c=1.3572(5)nm, α=98.69(2)°, β=92.74(2)°, γ=90.45(1)°; V=1.480nm^3; Z=2, All three silver atoms in molecule have same coordination number 5, but their coordination polyhedrons are different. The tetragonal pyramid and trigonal bipyramid are formed for atoms Ag(3)and Ag(2)respectively and the coordination polyhedron of atom Ag(l)is between them. The coordination of NO_3^-with silver may be divide into two classes, in one of them NO_3^-is bonded to silver with unidentate and bidentate having unequal bond length and in other with bidentate having equal bond length. Ligand coordinates with silver also with two conformation. The chair conformation has Ci symmetry and its coordination with silver is again in two forms. The gauohe conformation has no Ci symmetry and coordinates with silver to form five-membered chelate ring. The complex is found to be a large molecule having three dimensional unlimited chain.