Syntheses, characterization, and structure determination of nine-coordinate Na[YIII(edta)(H2O)3]· 5H2O and eight-coordinate Na[YIII(cydta)(H2O)2]·5H2O complexes

Syntheses and structure determination of the Y^III complexes with ethylenediaminetetraacetic acid (H₄edta) and trans-1,2-cyclohexanediaminetetraacetic acid (H₄cydta) are reported. The crystal and molecular structures of the complexes, as well as their molecular formulas and compositions, were determined by single-crystal X-ray structure analyses, NMR, IR, thermogravimetric measurements, and elementary analyses. The crystal of the Na[Y^III(edta)(H₂O)₃]·5H₂O complex belongs to the orthorhombic crystal system and space group Fdd2. The crystal data are as follows: a = 19.355(5) Å, b = 35.431(11) Å, c = 12.122(3) Å, V = 8313(4) ų, Z = 16, M = 544.23, D_c = 1.739 g·cm⁻³, μ = 2.908 mm⁻¹ and F(000) = 4480. The final R and Rw are 0.0483 and 0.1172 for 3284 (I > 2σ(I)) unique reflections, R and Rw are 0.0678 and 0.1440 for all 8499 reflections, respectively. The Y^IIIN₂O₇ part in the [Y^III(edta)(H₂O)₃]⁻ complex anion has a pseudo-monocapped square antiprismatic nine-coordinate structure, in which the six coordinated atoms (two N and four O) from the edta ligand and three water molecules are coordinated to the central Y^III ion directly. The crystal of the Na[Y^III(cydta)(H₂O)₂]·5H₂O complex belongs to the triclinic crystal system and space group. The crystal data are as follows: a = 8.405(2) Å, b = 9.970(2) Å, c = 14.763(4) Å, α = 88.538(4)°, β = 76.193(4)°, γ = 88.100(4)°, V = 1200.6(5) Å ³, Z = 2, M = 580.31, D_c = 1.605 g·cm⁻³, μ = 2.519 mm⁻¹ and F(000) = 600. The final R and Rw are 0.0381 and 0.0911 for 4198 (I > 2σ(I)) unique reflections, R and Rw are 0.0530 and 0.1041 for all 6186 reflections, respectively. The Y^IIIN₂O₆ part in the [Y^III(cydta)(H₂O)₂]⁻ complex anion has a pseudo square antiprismatic eight-coordinate structure in which the six coordinated atoms (two N and four O) from the cydta ligand and two water molecules are coordinated to the central YIII ion directly. Original Russian Text Copyright ? 2005 by J. Wang, Y. Wang, Zh. H. Zhang, X. D. Zhang, J. Tong, X. Zh. Liu, X. Y. Liu, Y. Zhang, and Zh. J. Pan __________ Translated from Zhurnal Strukturnoi Khimii, Vol. 46, No. 5, pp. 928–938, September–October, 2005.