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Journal of Structural Chemistry

2009 year, number 5


B. Liu, Y.F. Wang, J. Wang, J. Gao, R. Xu, Y.M. Kong, L.Q. Zhang, X.D. Zhang
Keywords: Eu3+, Tb3+, Diethylenetriamine-N,N,N',N",N"-pentaacetic acid (H5dtpa), triethylenetetramine-N,N,N',N',N",N"-hexaacetic acid (H6ttha), complex
Pages: 917-923


The title complexes, K2[EuIII(dtpa)(H2O)]·5H2O (H5dtpa = diethylenetriamine-N,N,N′,N″,N″-pentaacetic acid), Na2[TbIII(Httha)]·6H2O (H6ttha = triethylenetetramine-N,N,N′,N′,N″,N″-hexaacetic acid), were prepared, and their compositions and structures were determined by elemental analyses and single-crystal X-ray diffraction techniques. The crystal of K2[EuIII(dtpa)(H2O)]·5H2O belongs to triclinic crystal system and P space group. The crystal data are as follows: a = 8.3540(17) Å, b = 10.147(2) Å, c = 15.059(3) Å, α = 84.63(3)°, β = 82.02(3)°, γ = 83.96(3)°, V = 1253.1(4) Å3, Z = 2, R = 0.0325 and wR = 0.1013 for 4407 observed reflections with I ≥ 2σ(I). The [EuIII(dtpa)(H2O)]2- has a nine-coordinate pseudo-monocapped square antiprismatic structure, in which the nine coordinate atoms, three N and six O are from one dtpa ligand and one water molecule. The crystal of the Na2[TbIII(Httha)]·6H2O belongs to monoclinic system and P21/c space group. The crystal data are as follows: a = 10.3976(10) Å, b = 12.7908(13) Å, c = 23.199(2) Å, β = 90.914(2)°, V = = 3084.9(5) Å3, Z = 4, R = 0.0309 and wR = 0.0704 for 5429 observed reflections with I ≥ ≥ 2σ(I). In the [TbIII(Httha)]2-, the Tb3+ ion is nine-coordinated yielding a pseudo-monocapped square antiprismatic conformation, in which the ttha ligand coordinates to the central Tb3+ ion with four N atoms and five O atoms. There is a free non-coordinate carboxyl group (-CH2COOH) that can be modified by some biological molecules having target function.