摘要
The crystal and molecular structures of the K[Tb^(III)(edta)(H_2O)_3].5 H_2O(edta = ethylenediaminetetraacetic acid) and K_4[Tb^(III)_2(Httha)_2].14 H_2O (ttha =triethylenetetraminehexaacetic acid) complexes have been determined by single-crystal X-raydiffraction analyses. The crystal of the K[Tb^(III)(edta)(H_2O)_3].5 H_2O complex belongs toorthorhombic crystal system and Fdd 2 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) nm^3, Z= 16, M= 630.35, Dc = 2.014 g cm^(-3), m= 3.683 mm^(-1) and F(000) = 5024. The final Rand wR values are 0.0224 and 0.0557 for 3189 [I> 2.0sigma(I)] unique reflections, and 0.0245 and 0.0567 for all 8206 reflections, respectively. The[Tb^(III)(edta)(H_2O)_3]^- complex anion has a nine-coordinated pseudo-monocapped squareantiprismatic structure in which the nine coordinate atoms, two N and seven O come from one edtaligand and three water molecules. The crystal of the K_4[Tb^(III)_2(Httha)_2].14 H_2O complexbelongs to monoclinic system and P 2(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, bate = 102.943(5) centre dot, 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 are0.0339 and 0.0667 for 10699 [I>2.0 sigma (I)] unique reflections, and 0.0543 and 0.0741 for all22190 reflections, respectively. The total complex molecule is composed of two close parts instructure.
The crystal and molecular structures of the K[Tb^(III)(edta)(H_2O)_3].5 H_2O(edta = ethylenediaminetetraacetic acid) and K_4[Tb^(III)_2(Httha)_2].14 H_2O (ttha =triethylenetetraminehexaacetic acid) complexes have been determined by single-crystal X-raydiffraction analyses. The crystal of the K[Tb^(III)(edta)(H_2O)_3].5 H_2O complex belongs toorthorhombic crystal system and Fdd 2 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) nm^3, Z= 16, M= 630.35, Dc = 2.014 g cm^(-3), m= 3.683 mm^(-1) and F(000) = 5024. The final Rand wR values are 0.0224 and 0.0557 for 3189 [I> 2.0sigma(I)] unique reflections, and 0.0245 and 0.0567 for all 8206 reflections, respectively. The[Tb^(III)(edta)(H_2O)_3]^- complex anion has a nine-coordinated pseudo-monocapped squareantiprismatic structure in which the nine coordinate atoms, two N and seven O come from one edtaligand and three water molecules. The crystal of the K_4[Tb^(III)_2(Httha)_2].14 H_2O complexbelongs to monoclinic system and P 2(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, bate = 102.943(5) centre dot, 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 are0.0339 and 0.0667 for 10699 [I>2.0 sigma (I)] unique reflections, and 0.0543 and 0.0741 for all22190 reflections, respectively. The total complex molecule is composed of two close parts instructure.
