关键词: In^Ⅲ, 二乙三胺五乙酸, 配合物, 结构

Abstract: In this paper, the title complex K[In^Ⅲ(Hdtpa)]·3.5H₂O(dtpa=diethylenetriaminepentaacetic acid) was synthesized and its crystal structure was determined by single crystal X-ray structure analysis. The crystal belongs to monoclinic system, P2₁/ c (No.14) space group with a =0.9781(2) nm, b =0.7338(1) nm , c =2.9629(6) nm, β =91.81(3)°, V =0.2126(1) nm³, Z =4, M =606.31, D_x=1.895 g·cm^-3, μ =1.3821 mm^-1 , F (000)=1228, R =0.035 and R_w=0.041 for 2802 unique reflections. The complex anion [In^Ⅲ(Hdtpa)]^- has a pseudo-monocapped trigonal prismatic seven-coordination structure in which the seven coordinate atoms, three Nand four Oatoms, are all from a ligand dtpa. In addition, it can be seen that the complex anion [In^Ⅲ(Hdtpa)]^- can furnish a free carboxyl group(—CH₂COOH) being used for molecular embellishment to form the target diagnosis-and treat-drug of anticancer.

Key words: In^Ⅲ, Diethylenetriaminepentaacetic acid, Complex, Structure