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 KTbⅢ(edta)(H2O)3]-5H2O (edta = ethylenediaminetetraacetic acid) and K4TbⅢ2(Httha)2]+14H2O (ttha = triethylenetetraminehexaacetic acid) complexes have been determined by sin-gle-crystal X-ray diffraction analyses. The crystal of the KTbⅢ(edta)(H2O)3]·5H2O complex belongs to orthorhombic crys-tal system and Fdd2 space group. The crystal data are as follows: a = 1.9373(5) nm, b = 3.5429(10) nm, c = 1.2114(3) nm, V = 8.315(4) nm3, Z= 16, M = 630.35, Dc = 2.014 g cn-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> 2.0o(I)] unique reflections, and 0.0245 and 0.0567 for all 8206 reflections, respectively. The TbⅢ(edta)(H2O)3]- complex anion has a nine-coordinated pseudo-monocapped square antiprismatic structure in which the nine coordinate atoms, two N and seven O come from one edta ligand and three water molecules. The crystal of the K4TbⅢ2(Httha)2]·14H2O complex belongs to monoclinic system and P2(1)/n sp

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 KTbⅢ(edta)(H2O)3].5H2O (edta = ethylenediaminetetraacetic acid)and K4TbⅢ2(Httha)2]@14H2O (ttha = triethylenetetraminehexaacetic acid) complexes have been determined by single-crystal X-ray diffraction analyses. The crystal of the KTbⅢ(edta)(H2O)3]@5H2O complex belongs to orthorhombic crystal system and Fdd2 space group. The crystal data are as follows: a = 1.9373(5) nm, b = 3.5429(10) nm. c = 1.2114(3) nm,V= 8.315(4) nm3, 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 ＞ 2.0σ(I)] unique reflections, and 0.0245 and 0.0567 for all 8206 reflections, respectively.The TbⅢ(edta)(H2O)3] - complex anion has a nine-coordinated pseudo-monocapped square antiprismatic structure in which the nine coordinate atoms, two N and seven O come from one edta ligand and three water molecules. The crystal of the K4TbⅢ2(Httha)2]@ 14H2O 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, β = 102.943(5)°, V = 6.256(3) nm3, Z = 4, M = 1705.26, Dc = 1.802g 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 σ(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.