九配位(NH_4)_3[Y^III(ttha)]·5H_2O配合物的合成及结构

Synthesis and Structural Determination of Nine-Coordinate (NH_4)_3[Y^III(ttha)]·5H_2O

报道了含有自由羧酸基的新型稀土金属离子YIII氨基多羧酸配合物的合成及分子结构和晶体结构的测定 .具体结果如下 :分子式 (NH4 ) 3 [YIII(ttha) ]·5H2 O(ttha =三乙四胺六乙酸 ) ,单斜晶系 ,P2 (1) /c空间群 ,a =1.0 2 89(2 )nm ,b =1.2 75 7(3)nm ,c=2 .3184(5 )nm ,β =90 .92 (3)°,V =3.0 42 7(11)nm3 ,单位晶胞中的分子数为 4,Dc=1.5 75g·cm-3 ,μ =2 .0 0 2mm-1和F(0 0 0 ) =15 12 ,对 5 145个独立的衍射点它的R和Rw值分别为 0 .0 5 14和 0 .12 87,对所有5 2 85个衍射点它的R和Rw值分别为 0 .10 85和 0 .140 7.在配合物离子 [YIII(ttha) ]3 -中 ,YN4 O5部分是九配位变形的单帽四方反棱柱体结构 .其中的COO-是一个未参与配位的可用于修饰的自由羧酸基 .由此可知90 YIII ttha配合物通过修饰与具有定向功能的生物大分子等相接可形成定向放射性抗肿瘤药物 .

This paper deals with the synthesis and 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 90Y III-ttha complex may become radioactive anti-tumor drug having targeting function.