配合物3AgNO3·2[C3H7S(CH2)2SC3H7]的晶体结构

本文测定了配合物3AgNO3·2BPrTE的晶体结构, 该晶体属三斜晶系, 空间各为PI,晶胞参数: a=0.8945(1), b=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, 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, NO3^-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C1对称性, 并以两种形式和Ag原子配位, 偏转式构象不具有C4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 3AgNO3·2[(C3H7S(CH2)2SC3H7)]

with a 0.8945(1), b 1.2355(2), c 1.3572(5) nm, a 98.69(2), b 92.74(2), and g 90.45(1)? Z = 2. All 3 Ag atoms have the same coordination no. 5, but their coordination polyhedra are different. The tetragonal pyramid and trigonal bipyramid are formed for Ag(3) and Ag(2) resp. and the coordination polyhedron of Ag(1) is between them. The coordination of NO3- with Ag may be divided into 2 classes, in 1 of them NO3- is bonded to Ag with unidentate and bidentate having unequal bond length and in other with bidentate having equal bond length. The ligand coordinates with Ag also with 2 conformation. The chair conformation has Ci symmetry and its coordination with Ag is again in 2 forms. The gauche conformation has no Ci symmetry and coordinates with Ag to form a 5-membered chelate ring. The complex is a large mol. having 3-dimensional unlimited chains. Atomic coordinates are given.