关键词: 钇络合物, 三乙四胺六乙酸, 抗肿瘤药, 晶体结构

This paper deals with the synthesisand molecular and crystal determination of the new type Y~(III) complex with aminopolycarboxylic acid ligand. The molecular and crystal structure of the title complex salt has been determined by single-crystal X-ray structure analysis. The crystal data are as follows: (NH_4)_3[Y~(III)(ttha)]·5H_2O(ttha= triethylenetetraminehexaacetic acid), monoclinic system, P2(1)/c space group, a = 1.0289(2) nm, b = 1.2757(3) nm, c = 2.3184(5) nm, β = 90. 92(3)°, V = 3.0427(11) nm~3, Z = 4, D_c = 1.575 g·cm~(-3), μ = 2.002 mm~(-1), F(000) = 1512, R = 0.0514, Rw = 0.1287 for 5145 unique reflections and R = 0.1085, Rw = 0.1407 for all 5285 reflections. The YN_4O_5 part in the complex anion [Y~(III)(ttha)]~(3-) is a pseudo- monocapped square antiprismatic nine-coordination structure. In addition, there is a free non-coordinated carboxyl group (CH_2COO~-) in the complex anion [Y~(III)(ttha)]~(3-). The free carboxyl group could be embellished by some biological molecules which have selectivity and affinity to tumor cell. Then the ~(90)Y~(III)-ttha complex may become radioactive anti-tumor drug having targeting function.

Key words: YTTRIUM COMPLEX, triethylenetetraminehexaacetic acid (ttha), ANTITUMOR DRUGS, ANTITUMOR DRUGS