双核七配位K_4[In~Ⅲ(cydta)(H_2O)]_4·14H_2O配合物的合成与结构(英文)

Synthesis and structure of two-dimension tetranuclear seven-coordinate K_4[n~Ⅲ(cydta)(H_2O)]_4·14H_2O complex

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 crystal and molecular structures of the K4[In^1（cydta） （H2O）]4·14H2O （cydta = trans-1,2- cydohexanediaminetetraacetic acid） complex has been determined by single-crystal X-ray structure analysis. The crystal of the K4[In^1（cydta） （H2O）]4·14H2O complex belongs to monoclinic crystal system and P2 （1）/ c space group. The crystal data are as follows：a=1.4460（3） nm,b=3.5530（7） nm,c=1.6290（3） nm,β= 90.21（3）°,V=8.369（3） nm^3,Z=4,M=2228.93,Dc=1.769g·cm^-3,g=1.391 mm^-1 and F（000） =4464. The final R and wR values are 0. 0631 and 0. 2786 for 14708 [I〉2.0σ（ I ）] reflections,and 0. 1631 and 0. 2786 for all 15331 unique reflections ,respectively..The total complex molecule is composed of four close parts in structure. The every part around the In^1 ion in^1 the [in^1 （cydta）（H2O）]- complex anion has a sevencoordinate structure with distorted monocapped trigonal-prism,in which the cydta as a hexadentate ligand coordinates to the central In^1 ion with two N atoms and four O atoms,in addition,a water molecule directly coordinate to the central InⅢ ion as the seventh ligand also.