大环化合物[H_2(teta)]^(2+)·[Au(CN)_2^-]_2的晶体结构(英文)

Crystal structure of meso-5,5,7,12,12,13-hexamethyl-1,4,8,11-tetraazacylotetradecane dihydro-dicyanoaureate,[H_2(teta)]~2+·[Au(CN)_2^-]_2

合成了大环化合物[H2(teta)]2+.[Au(CN)2-]2(teta=内消旋5,7,7,12,14,14-六甲基-1,4,8,11-四氮杂环十四烷),其结构通过单晶X-射线衍射法确定.该配合物属单斜晶系,空间群C2/c.晶胞参数a=1.3603(2)nm,b=1.10404(19)nm,c=1.7495(3)nm,β=90.330(4)°,V=2.6274(8)nm3,Z=4.最后的偏差因子Rgt(F)=0.0258,wRref(F2)=0.0607[I>2σ(I)].该化合物由两个[Au(CN)2]-阴离子和一个质子化的大环四胺阳离子组成,化合物中存在两种类型的氢键,它连接了分子的各个组成部分,稳定了分子结构.

The compound [H2（teta）]^2＋ ·[Au（CN）2^-]2 （C20H38Au2N8） （teta = meso- 5,7,7, 12, 14,14 - hexamethyl - 1,4,8,11-tetraazacyclotetradecane）was synthesized and characterized by elementary analysis and the structure was determined by single- crystal X - ray diffraction. The crystal belongs to monoclinic, space group C2/c with a = 1. 3603（2）nm, b = 1. 10404 （19）nm, c - 1. 7495 （3）nm,β= 90. 330 （4）°, V- 2. 6274 （8）nm^3, Z = 4. The structure was refined to Rgt （F） = 0.0258 and wRref（F^2）=0. 0607. The title compound contains two [Au （CN） 2 ]^- anions and one protonated macrocyclic tetraamine cation, [H2 （teta） ]^2 ＋. There are two types of hydrogen bonds in the compound, which link the different components and stabilize the crystal structure.