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采用X-射线衍射仪测定了配合物K4[In(cydta)(H2O)]4.14H2O(cydta=反式-1,2-环己二氨四乙酸)的结构,该晶体属于单斜晶系Fdd2空间群,晶体学数据为:a=1.4460(3)nm,b=3.5530(7)nm,c=1.6290(3)nm,β=90.21(3)°,V=8.369(3)nm3,Z=4,M=2228.93,Dc=1.769 gcm-3,μ=1.391 mm-1and F(000)=4464,R和wR值分别为0.0631和0.2786。共收集15331个独立衍射数据,其中14708[I>2.0σ()]为独立衍射点。配合物的分子由四个结构单元组成,每一结构单元[In(cydta)(H2O)]-铟离子七配位单帽变形三棱锥结构,其中心离子In与配体cydta中的两个N原子和四个O原子及一个水分子直接配位形成七配位结构.
The structure of complex K4 [In (cydta) (H2O)] 4.14H2O (cydta = trans-1,2-cyclohexanediaminetetraacetic acid) was determined by X-ray diffractometry and belongs to monoclinic system Fdd2 Space group, the crystallographic data are: a = 1.4460 (3) nm, b = 3.5530 (7) nm, c = 1.6290 (3) nm, β = 90.21 4, M = 2228.93, Dc = 1.769 gcm-3, μ = 1.391 mm-1 and F (000) = 4464, with R and wR values of 0.0631 and 0.2786, respectively. A total of 15331 independent diffraction data were collected, of which 14708 [I> 2.0σ ()] were independent diffraction points. The molecule of the complex is composed of four structural units, each structural unit [In (cydta) (H2O)] - indium ion seven coordinate single cap deformation triangular pyramid structure, the center ion In and ligand cydta two N Atom and four O atoms and a water molecule coordinate directly to form a seven-coordinate structure.