In this paper, the molecular and crystal structures of the K3·5H2O(TTHA=triethylenetetraminehexaacetic acid)are given. The crystal data are as follows: monoclinic system, P21/c space group, a=1.0290(9)nm, b=1.246...In this paper, the molecular and crystal structures of the K3·5H2O(TTHA=triethylenetetraminehexaacetic acid)are given. The crystal data are as follows: monoclinic system, P21/c space group, a=1.0290(9)nm, b=1.2466(11)nm, c=2.279(2)nm, β=91.322(16)°, V=2.923(5)nm3, Z=4, M=860.67, Dc=1.956gcm-3, μ=3.217mm-1, F(000)=1720. The final R1 and wR2 are 0.0395 and 0.0796 for 5145 [I >2.0σ(I)] unique reflections and 0.0546 and 0.0833 for all 11567 reflections, respectively. In the title complex, the anion 3- has a nine coordination structure with distorted tricapped trigonal prism. A TTHA having four N atoms of amido groups and six O atoms of carboxylic groups acts as a enneadentate ligand with four N atoms and five O atoms. In addition, there is a free non coordinated carboxyl group ( CH2COO-) in the complex anion 3-. The free carboxyl group could be embellished by some biological molecules which have selectivity and affinity to tumor cell. Then the 166HoⅢ TTHA complex may become radioactive anti tumor drug having targeting function.展开更多
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...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.展开更多
The crystal and molecular structures of K[Eu~Ⅲ(edta)(H_2O)_3]·3.5H_2O (H_4 edta=ethylenediaminetetraacetic acid) and K_4[Eu~~Ⅲ__2(Httha)_2]·13.5H_2O (H_6 ttha=triethylenetetraminehexaacetic acid) complexes...The crystal and molecular structures of K[Eu~Ⅲ(edta)(H_2O)_3]·3.5H_2O (H_4 edta=ethylenediaminetetraacetic acid) and K_4[Eu~~Ⅲ__2(Httha)_2]·13.5H_2O (H_6 ttha=triethylenetetraminehexaacetic acid) complexes were determined by single-crystal X-ray structure analyses. The crystal of K[Eu~Ⅲ(edta)(H_2O)_3]·3.5H_2O complex belongs to orthorhombic crystal system and Fdd2 space group. The crystal data are as follows: a=1.9849(6)nm, b=3.5598(11)nm, c=1.2222(4)nm, V=8.636(5)nm^3, Z=16, M=596.37, D_c=1.835 g·cm^(-3), μ=3.166 mm^(-1) and F(000)=4752. The final R and wR values are 0.0269 and 0.0692 for 2936 [I>2.0σ(I)] reflections, and 0.0317 and 0.0708 for all 7284 unique reflections, respectively. The [Eu~Ⅲ(edta)(H_2O)_3]-complex anion has a nine-coordinate pseudo-monocapped square antiprismatic structure in which the nine coordinate atoms, two N and seven O are from one edta ligand and three water molecules. The crystal of the K_4[Eu~Ⅲ_2(Httha)_2]·13.5H_2O complex belongs to monoclinic system and P2(1)/n space group. The crystal data are as follows: a=1.1337(3) nm, b=2.5753(6) nm, c=2.2138(6) nm, β=102.871(5)°, V=6.301(3) nm^3, Z=4, M=1682.33, D_c=1.773 g·cm^(-3), μ=2.339 mm^(-1) and F(000)=3404. The final R and wR are 0.0514 and 0.0906 for 11144 [I>2.0σ(I)] reflections, and 0.0976 and 0.1068 for all 26048 unique reflections, respectively. The complex molecule is composed of two close parts in structure. Every part around the Eu~Ⅲ ion in the [Eu~~Ⅲ__2(Httha)_2]^(4-) complex anion has a nine-coordinate structure with distorted monocapped square antiprismatic prism, in which the ttha ligand coordinates to one central Eu~Ⅲ ion with three N atoms and four O atoms and to the other Eu~Ⅲ ion with two O atoms.展开更多
The title complex, potassium triethylenetetraaminehexaacetatodi [oxo-vanadium (Ⅳ)] hexahydrate K2[V2O2(ttha)]6(H2O), was synthesized in aqueous solution and its crystal structure has been determined by X-ray diffract...The title complex, potassium triethylenetetraaminehexaacetatodi [oxo-vanadium (Ⅳ)] hexahydrate K2[V2O2(ttha)]6(H2O), was synthesized in aqueous solution and its crystal structure has been determined by X-ray diffraction. The complex belongs to a triclinic system, space group P?with a = 6.645(1), b = 9.870(2), c = 13.263(3) ? a = 70.68(3), b = 76.27(3), g = 71.66(3), V = 770.5(3) 3, Mr = 808.58, Dc = 1.743 g/cm3, Z = 1, m = 0.968 mm-1, l(MoKa) = 0.71073 and F(000) = 416. The final R = 0.0465 and wR = 0.1091 for 2974 observed diffractions with I ≥ 2s(I). In the complex, the V atom is octahedrally coordinated to the oxo ligand, two N and three O atoms of the triethylenetetraaminehexaacetic (TTHA) ligand. All of the ten chelating sites are coordinated to the two vanadium atoms, and the coordination octahedron is distorted. Each [V2O2(ttha)]2- ion is further connected by the K+ ions through carboxyl groups of TTHA6- ion, forming a two dimensional network structure.展开更多
TTHA complexes with diamagnetic rare earth ions (La3+, Y3+ and Lu3+) were studied by 1H and 13C NMR spectroscopy. A symmetric structural model was suggested for La(TTHA) complex and an asymmetric model for Y(TTHA) and...TTHA complexes with diamagnetic rare earth ions (La3+, Y3+ and Lu3+) were studied by 1H and 13C NMR spectroscopy. A symmetric structural model was suggested for La(TTHA) complex and an asymmetric model for Y(TTHA) and Lu(TTHA) complexes. The complex formation was dependent on the pH value of the solution. The interactions of La(TTHA) with the additional metal ions (La3+, Y3+ and Ca2+) were relatively weak, but relatively strong for that of Lu(TTHA) with the additional Lu3+.展开更多
文摘In this paper, the molecular and crystal structures of the K3·5H2O(TTHA=triethylenetetraminehexaacetic acid)are given. The crystal data are as follows: monoclinic system, P21/c space group, a=1.0290(9)nm, b=1.2466(11)nm, c=2.279(2)nm, β=91.322(16)°, V=2.923(5)nm3, Z=4, M=860.67, Dc=1.956gcm-3, μ=3.217mm-1, F(000)=1720. The final R1 and wR2 are 0.0395 and 0.0796 for 5145 [I >2.0σ(I)] unique reflections and 0.0546 and 0.0833 for all 11567 reflections, respectively. In the title complex, the anion 3- has a nine coordination structure with distorted tricapped trigonal prism. A TTHA having four N atoms of amido groups and six O atoms of carboxylic groups acts as a enneadentate ligand with four N atoms and five O atoms. In addition, there is a free non coordinated carboxyl group ( CH2COO-) in the complex anion 3-. The free carboxyl group could be embellished by some biological molecules which have selectivity and affinity to tumor cell. Then the 166HoⅢ TTHA complex may become radioactive anti tumor drug having targeting function.
文摘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.
文摘The crystal and molecular structures of K[Eu~Ⅲ(edta)(H_2O)_3]·3.5H_2O (H_4 edta=ethylenediaminetetraacetic acid) and K_4[Eu~~Ⅲ__2(Httha)_2]·13.5H_2O (H_6 ttha=triethylenetetraminehexaacetic acid) complexes were determined by single-crystal X-ray structure analyses. The crystal of K[Eu~Ⅲ(edta)(H_2O)_3]·3.5H_2O complex belongs to orthorhombic crystal system and Fdd2 space group. The crystal data are as follows: a=1.9849(6)nm, b=3.5598(11)nm, c=1.2222(4)nm, V=8.636(5)nm^3, Z=16, M=596.37, D_c=1.835 g·cm^(-3), μ=3.166 mm^(-1) and F(000)=4752. The final R and wR values are 0.0269 and 0.0692 for 2936 [I>2.0σ(I)] reflections, and 0.0317 and 0.0708 for all 7284 unique reflections, respectively. The [Eu~Ⅲ(edta)(H_2O)_3]-complex anion has a nine-coordinate pseudo-monocapped square antiprismatic structure in which the nine coordinate atoms, two N and seven O are from one edta ligand and three water molecules. The crystal of the K_4[Eu~Ⅲ_2(Httha)_2]·13.5H_2O complex belongs to monoclinic system and P2(1)/n space group. The crystal data are as follows: a=1.1337(3) nm, b=2.5753(6) nm, c=2.2138(6) nm, β=102.871(5)°, V=6.301(3) nm^3, Z=4, M=1682.33, D_c=1.773 g·cm^(-3), μ=2.339 mm^(-1) and F(000)=3404. The final R and wR are 0.0514 and 0.0906 for 11144 [I>2.0σ(I)] reflections, and 0.0976 and 0.1068 for all 26048 unique reflections, respectively. The complex molecule is composed of two close parts in structure. Every part around the Eu~Ⅲ ion in the [Eu~~Ⅲ__2(Httha)_2]^(4-) complex anion has a nine-coordinate structure with distorted monocapped square antiprismatic prism, in which the ttha ligand coordinates to one central Eu~Ⅲ ion with three N atoms and four O atoms and to the other Eu~Ⅲ ion with two O atoms.
基金the National Natural Science Foundation of China (20173046)
文摘The title complex, potassium triethylenetetraaminehexaacetatodi [oxo-vanadium (Ⅳ)] hexahydrate K2[V2O2(ttha)]6(H2O), was synthesized in aqueous solution and its crystal structure has been determined by X-ray diffraction. The complex belongs to a triclinic system, space group P?with a = 6.645(1), b = 9.870(2), c = 13.263(3) ? a = 70.68(3), b = 76.27(3), g = 71.66(3), V = 770.5(3) 3, Mr = 808.58, Dc = 1.743 g/cm3, Z = 1, m = 0.968 mm-1, l(MoKa) = 0.71073 and F(000) = 416. The final R = 0.0465 and wR = 0.1091 for 2974 observed diffractions with I ≥ 2s(I). In the complex, the V atom is octahedrally coordinated to the oxo ligand, two N and three O atoms of the triethylenetetraaminehexaacetic (TTHA) ligand. All of the ten chelating sites are coordinated to the two vanadium atoms, and the coordination octahedron is distorted. Each [V2O2(ttha)]2- ion is further connected by the K+ ions through carboxyl groups of TTHA6- ion, forming a two dimensional network structure.
基金Project supported by the National Natural Science Foundation of China and the Science Foundation of Laboratory of Rare Earth Chemistry and Physics.
文摘TTHA complexes with diamagnetic rare earth ions (La3+, Y3+ and Lu3+) were studied by 1H and 13C NMR spectroscopy. A symmetric structural model was suggested for La(TTHA) complex and an asymmetric model for Y(TTHA) and Lu(TTHA) complexes. The complex formation was dependent on the pH value of the solution. The interactions of La(TTHA) with the additional metal ions (La3+, Y3+ and Ca2+) were relatively weak, but relatively strong for that of Lu(TTHA) with the additional Lu3+.
