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本文报导了〔H6edta〕〔VⅢ(edta)(H2O)〕2·4H2O(edta4-=乙二氨基四乙酸根)配合物的合成及它的分子结构和晶体结构的测定.得出的具体分析结果如下:三斜晶系,P1—空间群,a=7.724(5),b=12.092(4),c=12.622(4),α=72.79(3)°,β=81.79(4)°,γ=73.80(4)°,V=1079.1(8)3,单位晶胞中的分子数为1,Dc=1.74g·cm-3,Do=1.72g·cm-3,μ=0.595mm-1,F(000)=539,在3°≤2θ≤55°的范围内共收集4268个衍射数据,对2238个独立衍射点,它的R和Rw值分别为0.048和0.029.其中〔VⅢ(edta)(H2O)〕-是一个七配位的近似面冠三方柱(C2v-MTP)体结构.由此可知具有非对称电子结构(d2)的VⅢ六齿配体的edta4-(=乙二胺四乙酸根)和作为第七个配体的水分子易形成七配位结构的配合物.
This paper reports the synthesis of [H6edta] [VIII (edta) (H2O)] 2 · 4H2O (edta4- = ethylenediaminetetraacetate) complex and its molecular structure and crystal structure. The specific analysis results obtained are as follows: triclinic, P1-space group, a = 7.724 (5) , b = 12.092 (4) , c = 12.622 72.79 (3) °, β = 81.79 (4) °, γ = 73.80 (4) °, V = 1079.1 (8) 3 and the number of molecules per unit cell is 1. Dc = 1.74g · cm-3, Do = 1.72g · cm-3, μ = 0.595mm-1, F (000) = 539, and a total of 4268 diffractions were collected in the range of 3 ° ≦ 2θ ≦ 55 ° For the 2238 individual diffraction points, its R and Rw values are 0.048 and 0.029, respectively. Among them, [VIII (edta) (H2O)] - is a seven-coordinated near-surface crown-capped cubic (C2v-MTP) structure. It can be seen from this that edta4 - (= ethylenediaminetetraacetate) of the VI hexagonal ligand of the asymmetric electronic structure (d2) and the water molecule as the seventh ligand easily form a complex of hepta coordinate structures.