摘要
报道了新型配合物(NH4)3[Dy(TTHA)]·5H2O(TTHA=三乙四胺六乙酸)的分子结构和晶体结构。配合物晶体参数为:单斜晶系,P2(1)/c空间群,a=1.0353(3)nm,b=1.2746(4)nm,c=2.3141(7)nm,β=91.005(5)°,V=3.053(15nm3),Z=4,M=795.10,Dc=1.730g·cm-3,μ=2.532mm-1,F(000)=1620。其R和Rw值分别为0.0332和0.0924(对5390个独立的衍射点),R和Rw值分别为0.0460和0 1012(对所有12395个衍射点)。配合物(NH4)3[Dy(TTHA)]·5H2O中的[Dy(TTHA)]3-部分是一个九配位的非标准单帽四方反棱柱体结构。十齿TTHA配体提供四个胺基氮原子和五个羧基氧原子与中心金属Dy(Ⅲ)离子配位。为使[Dy(TTHA)]3-部分在体内具定向功能,结构中未参与配位的自由羧酸基(-CH2COO-)可采用某些生物分子修饰。
The molecular and crystal structures of the (NH4)3［Dy(TTHA)］·5H2O (TTHA=triethylenetetraminehexaacetic acid) are reported in this paper. The crystal data are as follows: monoclinic system, P2(1)/c space group, a=1.0353(3) nm, b=1.2746(4) nm, c=2.3141(7) nm, β=91.005(5)°, V=3.053, 15 nm3, Z=4, M=795.10, Dc=1.730 g·cm-3, =2.532 mm-1, F(000)=1620. The final R1 and wR2 are 0.0332 and 0.0924 for 5390 ［I>2.0σ(I)］ unique reflections and 0.0460 and 0.1012 for all 12395 reflections, respectively. In the title complex, the anion ［Dy(TTHA)］3- has a ninecoordination structure with distorted monocapped square antiprismatic prism. A TTHA having four N atoms of amino groups and six O atoms of carboxylic groups acts as a enneadentate ligand with four N atoms and five O atoms. In addition, there is a free noncoordinated carboxyl group (-CH2COO-) in the complex anion ［Dy(TTHA)］3-. The free carboxyl group could be embellished by some molecules that have targeting function.
出处
《中国稀土学报》
CAS
CSCD
北大核心
2002年第z2期7-11,共5页
Journal of the Chinese Society of Rare Earths
基金
辽宁省教育厅自然科学基金项目
