关键词: Gd^Ⅲ配合物, 氨基三乙酸(nta), 反式-1, 2-环己二胺四乙酸(Cydta), 晶体结构

Abstract: Two new Gd^Ⅲ complexes with nitrilotriacetic acid(nta) and trans-1,2-cyclohexanediaminetetraacetic acid(Cydta) ligands were synthesized. Their crystal structures were determined by single-crystal X-ray structure analyses. The crystal data are as follows: K₃[Gd^Ⅲ(nta)₂·(H₂O)]·6H₂O, monoclinic system, C2/c space group, a=1.534 81(15) nm, b=1.292 05(12) nm, c=2.610 8(3) nm, β=96.244(2)°, V=5.146 7(9) nm³, Z=8, M=776.87, D_c=2.005 g/cm³, μ= 3.149 mm^-1 and F(000)=3 080, R=0.024 5, wR=0.064 3 for 4 455 unique reflections and R= 0.028 9, wR=0.067 2 for all 10 305 reflections. The Gd^ⅢN₂O₇ part in the [Gd^Ⅲ(nta)₂(H₂O)]^3- anion is a pseudo-monocapped square antiprismatic nine-coordination structure.(NH₄)[Gd^Ⅲ(Cydta)(H₂O)₂]·5H₂O, triclinic system, P1 space group, a=0.866 2(3) nm, b=1.006 7(3) nm, c= 1.444 8(5) nm, α= 88.282(5)°, β=75.190(5)°, γ=88.317(4)°, V=1.217 2(7) nm³, Z=2, M=643.69, D_c=1.756 g/cm³, μ=2.798 mm^-1 and F(000)=650, R=0.030 3, wR=0.080 9 for 4 273 unique reflections and R=0.033 2, wR=0.082 5 for all 5 062 reflections. The Gd^ⅢN₂O₆ part in the [Gd^Ⅲ(Cydta)(H₂O)₂]^- anion has a pseudo-square antiprismatic eight-coordination structure.

Key words: Gd^Ⅲ complex, Nitrilotriacetic acid(nta), trans-1,2-Cyclohexanediaminetetraacetic acid(Cydta), Crystal structure