Study on syntheses and structures of nine-coordinated mononuclear K[TbIII(edta)H2O)3]•5H2O and binuclear K4[TbIII2(Httha)2]•14H2O complexes

The crystal and molecular structures of the K[TbIII(edta)(H2O)(3)].5H(2)O (edta = ethylenediaminetetraacetic acid) and K-4[Tb-2(III)(Httha)(2)].14H(2)O (ttha. = triethylenetetraminehexaacetic acid) complexes have been determined by single-crystal X-ray diffraction analyses. The crystal of the K[Tb-III(edta)(H2O)(3)].5H(2)O complex belongs to orthorhombic crystal system and Fdd2 space group. The crystal data are as follows: a = 1.9373(5) run, b = 3.5429(10) run, c = 1.2114(3) nm, V = 8.315(4) nm(3), Z = 16, M = 630.35, Dc = 2.014 g cm(-3), m = 3.683 mm(-1) and F(000) = 5024. The final R and wR values are 0.0224 and 0.0557 for 3189 [I > 2.0sigma(I)] unique reflections, and 0.0245 and 0.0567 for A 8206 reflections, respectively. The [Tb-III(edta)(H2O)(3)](-) complex anion has a nine-coordinated pseudo-monocapped square antiprismatic structure in which the nine coordinate atoms, two N and seven 0 come from one edta ligand and three water molecules. The crystal of the K4[Tb-2(III)(Httha)(2)].14H(2)O complex belongs to monoclinic system and P2(1)/n space group. The crystal data are as follows: a = 1.1326(3) nm, b = 2.5675(7) nm, c = 2.2076(6) nm, 0 = 102.943(5)degrees, V = 6.256(3) nm(3), Z = 4, M = 1705.26, Dc = 1.802 g cm(-3), m = 2.611 mm(-1) and F(000) = 3424. The final R and wR are 0.0339 and 0.0667 for 10699 [I > 2.0 sigma(I)] unique reflections, and 0.0543 and 0.0741 for all 22190 reflections, respectively. The total complex molecule is composed of two close parts in structure.