The title compound, [Cu（C6H4N2O4F）2（H2O）4].4（H2O） I, has been hydrothermally synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/c w...The title compound, [Cu（C6H4N2O4F）2（H2O）4].4（H2O） I, has been hydrothermally synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/c with a = 8.3041（17）, b = 12.045（2）, c = 11.077（2） A, β = 92.567（3）°, V= 1106.8（4） A^3, Mr = 581.89, Z= 2, Dc = 1.746 g/cm^3, F（000） = 598,μ（MoKa） = 1.090 mm^-1, the final R = 0.0296 and wR = 0.0806 for 3195 observed reflections with Ⅰ 〉 2σ（Ⅰ）. In the centrosymmetric compound I, each Cu（Ⅱ） ion is coordinated by six O atoms from two 5-fluorouracil-1-acetate anions and four water molecules, forming a six-coordinated octahedral environment. N-H…O and O-H…O hydrogen-bonding interactions are observed in the structure, leading to the formation of a three-dimensional network.展开更多
The complex Cu(phon)(NO3)2(CH3CN) (phon = 1,10-phenanthroline-5,6-dione) has been synthesized and characterized by elemental analysis, infrared and UV-Vis spectra. X-ray diffraction analysis at room temperature indica...The complex Cu(phon)(NO3)2(CH3CN) (phon = 1,10-phenanthroline-5,6-dione) has been synthesized and characterized by elemental analysis, infrared and UV-Vis spectra. X-ray diffraction analysis at room temperature indicates that the complex crystallizes in orthorhombic system, space group P212121 with a = 8.353(1), b = 11.299(2), c = 17.764(2) A, V= 1676.5(4) A3, Z = 4, C14H9CuN5O8, Mr = 438.8, Dc = 1.739 g/cm3, F(000) = 884 and μ(MoKα) = 1.361 mm-1. The final R and wR factors for the observed reflections with I > 2σ(I) are 0.0353 and 0.0855, respectively. R = 0.0432 and wR = 0.0899 for all data. The structure of the title complex consists of a neutral mononuclear entity. The central Cu (II) atom is five-coordinated by two nitrogen donors of one ligand, two unidentate NO3- ions and one CH3CN molecule. The coordination geometry of Cu (II) can be considered as a distorted trigonal bipyramidal configuration. The complex ability of the NO3-ion has more effect than that of the ClO4- ion on the structure of the complex.展开更多
The title complex [CuL3]（ClO4）2·2H2O·2CH3CN （L = 1,10-phenanthroline-5,6-dione） has been synthesized and characterized by elemental analysis, conductivity, infrared and UV-Vis spectra. X-ray diffraction ...The title complex [CuL3]（ClO4）2·2H2O·2CH3CN （L = 1,10-phenanthroline-5,6-dione） has been synthesized and characterized by elemental analysis, conductivity, infrared and UV-Vis spectra. X-ray diffraction analysis at room temperature indicates that the complex （C40H28Cl2CuN8O16, Mr = 1011.14） crystallizes in orthorhombic system, space group P212121 with a=13.983（1）, b=14.310（1）, c= 20\^890（2） , V = 4179.7（6） 3, Z = 4, Dc = 1.607 g/cm3, F（000） = 2026,μ（MoKα） = 0.736 mm-1. The final R and wR factors are 0.0446 and 0.1212 respectively with 8545 independent reflections. The title complex is composed of a discrete [CuL3]2+ cation, uncoordinated ClO4- anions, H2O and CH3CN molecules. The central Cu（II） atom is six-coordinated by six nitrogen donors of three ligands. The coordination geometry of Cu（II） could be considered as an approximately ideal octahedral configuration with little static Jahn-Teller distortion （the longest and shortest Cu-N bonds are 2.102 vs 2.139 with the mean length of 2.122 ）, which is very rare for a six-coordinated Cu（II） complex.展开更多
A polynuclear complex containing a monomer of Cu(Ⅱ)-Zn(Ⅱ) heterobinuclear unit was synthesized and characterized by IR spectra and magnetic moment. The crystal and molecular structure of the complex, CuZnC_(19)H_(24...A polynuclear complex containing a monomer of Cu(Ⅱ)-Zn(Ⅱ) heterobinuclear unit was synthesized and characterized by IR spectra and magnetic moment. The crystal and molecular structure of the complex, CuZnC_(19)H_(24)Cl_4N_2O_2, was determined by X-ray diffraction, it crystallized in monoclinic, P2_1 / m, a = 8.812 (2), b = 15.972(3), c = 8.831(1) A, β = 114.33(1)°, V = 1132.4A^3, Z=2, D_c= 1.710 g / cm^3, λ(Mo K_α) = 0.71073A, μ = 25.227 cm^(-1), R = 0.051. R_w = 0.063 for 1130 ob- served reflections with I> 3σ(I) . The coordinated octahedra of Cu(Ⅱ) and tetrahedra of Zn(Ⅱ) via bridging Cl atoms form a single chain polynuclear complex. The Cu, Zn and bridging Cl atoms are located on the crystallographic symmetry plane m which is perpendicular to 2N and 2O donor plane.展开更多
Cu(TO)2(H2O)4](PA)2 was prepared by mixing the aqueous solution of 1,2,4 triazol 5 one(TO) and Cu(PA)2. The molecular structure and crystal structure of the title complex was determined by X ray single crystal diffrac...Cu(TO)2(H2O)4](PA)2 was prepared by mixing the aqueous solution of 1,2,4 triazol 5 one(TO) and Cu(PA)2. The molecular structure and crystal structure of the title complex was determined by X ray single crystal diffraction method. The crystal is triclinic, space group with a=0.7321(1)nm,b=0.7474(2)nm,c=1.3649(3)nm;α=88.65(2)°,β=85.63(1)°,γ=63.35(1)°;V=0.6655(2)nm3,Z=1. The Cu2+ coordinated with two TO molecule through its 2 nitrogen atom and four water molecules and showed an octahedral configuration.展开更多
基金This work was supported by the National Natural Science Foundation of China (No. 20571057)
文摘The title compound, [Cu（C6H4N2O4F）2（H2O）4].4（H2O） I, has been hydrothermally synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/c with a = 8.3041（17）, b = 12.045（2）, c = 11.077（2） A, β = 92.567（3）°, V= 1106.8（4） A^3, Mr = 581.89, Z= 2, Dc = 1.746 g/cm^3, F（000） = 598,μ（MoKa） = 1.090 mm^-1, the final R = 0.0296 and wR = 0.0806 for 3195 observed reflections with Ⅰ 〉 2σ（Ⅰ）. In the centrosymmetric compound I, each Cu（Ⅱ） ion is coordinated by six O atoms from two 5-fluorouracil-1-acetate anions and four water molecules, forming a six-coordinated octahedral environment. N-H…O and O-H…O hydrogen-bonding interactions are observed in the structure, leading to the formation of a three-dimensional network.
基金This work was financially supported by the National Natural Science Foundation of China(No.29971019)
文摘The complex Cu(phon)(NO3)2(CH3CN) (phon = 1,10-phenanthroline-5,6-dione) has been synthesized and characterized by elemental analysis, infrared and UV-Vis spectra. X-ray diffraction analysis at room temperature indicates that the complex crystallizes in orthorhombic system, space group P212121 with a = 8.353(1), b = 11.299(2), c = 17.764(2) A, V= 1676.5(4) A3, Z = 4, C14H9CuN5O8, Mr = 438.8, Dc = 1.739 g/cm3, F(000) = 884 and μ(MoKα) = 1.361 mm-1. The final R and wR factors for the observed reflections with I > 2σ(I) are 0.0353 and 0.0855, respectively. R = 0.0432 and wR = 0.0899 for all data. The structure of the title complex consists of a neutral mononuclear entity. The central Cu (II) atom is five-coordinated by two nitrogen donors of one ligand, two unidentate NO3- ions and one CH3CN molecule. The coordination geometry of Cu (II) can be considered as a distorted trigonal bipyramidal configuration. The complex ability of the NO3-ion has more effect than that of the ClO4- ion on the structure of the complex.
基金ThisworkwasfinanciallysupportedbytheNationalNaturalScienceFoundationofChina (No .2 97710 2 2and 2 99710 19)andtheTrans Century
文摘The title complex [CuL3]（ClO4）2·2H2O·2CH3CN （L = 1,10-phenanthroline-5,6-dione） has been synthesized and characterized by elemental analysis, conductivity, infrared and UV-Vis spectra. X-ray diffraction analysis at room temperature indicates that the complex （C40H28Cl2CuN8O16, Mr = 1011.14） crystallizes in orthorhombic system, space group P212121 with a=13.983（1）, b=14.310（1）, c= 20\^890（2） , V = 4179.7（6） 3, Z = 4, Dc = 1.607 g/cm3, F（000） = 2026,μ（MoKα） = 0.736 mm-1. The final R and wR factors are 0.0446 and 0.1212 respectively with 8545 independent reflections. The title complex is composed of a discrete [CuL3]2+ cation, uncoordinated ClO4- anions, H2O and CH3CN molecules. The central Cu（II） atom is six-coordinated by six nitrogen donors of three ligands. The coordination geometry of Cu（II） could be considered as an approximately ideal octahedral configuration with little static Jahn-Teller distortion （the longest and shortest Cu-N bonds are 2.102 vs 2.139 with the mean length of 2.122 ）, which is very rare for a six-coordinated Cu（II） complex.
文摘A polynuclear complex containing a monomer of Cu(Ⅱ)-Zn(Ⅱ) heterobinuclear unit was synthesized and characterized by IR spectra and magnetic moment. The crystal and molecular structure of the complex, CuZnC_(19)H_(24)Cl_4N_2O_2, was determined by X-ray diffraction, it crystallized in monoclinic, P2_1 / m, a = 8.812 (2), b = 15.972(3), c = 8.831(1) A, β = 114.33(1)°, V = 1132.4A^3, Z=2, D_c= 1.710 g / cm^3, λ(Mo K_α) = 0.71073A, μ = 25.227 cm^(-1), R = 0.051. R_w = 0.063 for 1130 ob- served reflections with I> 3σ(I) . The coordinated octahedra of Cu(Ⅱ) and tetrahedra of Zn(Ⅱ) via bridging Cl atoms form a single chain polynuclear complex. The Cu, Zn and bridging Cl atoms are located on the crystallographic symmetry plane m which is perpendicular to 2N and 2O donor plane.
文摘Cu(TO)2(H2O)4](PA)2 was prepared by mixing the aqueous solution of 1,2,4 triazol 5 one(TO) and Cu(PA)2. The molecular structure and crystal structure of the title complex was determined by X ray single crystal diffraction method. The crystal is triclinic, space group with a=0.7321(1)nm,b=0.7474(2)nm,c=1.3649(3)nm;α=88.65(2)°,β=85.63(1)°,γ=63.35(1)°;V=0.6655(2)nm3,Z=1. The Cu2+ coordinated with two TO molecule through its 2 nitrogen atom and four water molecules and showed an octahedral configuration.
