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出 处:《Chinese Journal of Structural Chemistry》2006年第1期17-20,共4页结构化学(英文)
基 金:ThisworkwasfinanciallysupportedbytheNNSFofChina (No.20173063),theStateKeyBasicResearchandDevelopmentPlanofChina(001CB108906)andtheNSFofFujianProvince(E0020001)
摘 要:The title compound, [Cu(phen)2(SO4)(H2O)]·0.5C4H4O4·7H2O (phen = 1,10-phe-nan throline and C4H4O4 = fumaric acid), has been synthesized and characterized by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1^- with a = 11.4827(2), b = 11.9086(2), c = 13.77350(10) A, α = 80.6830(10), β = 66.6480(10), γ = 64.048000)°, V = 1554.63(4) A^3, Mr = 722.17, Z = 2, Dc = 1.543 g/cm^3,μ = 0.845 mm^-1, F(000) = 750, R = 0.0349 and wR = 0.0837 for 4754 observed reflections (1 〉 2σ(I)). The compound contains a six-coordinated copper(Ⅱ) center, which is surround by four N atoms of two phen ligands (Cu-N distances in the range of 1.997(2)- 2.225(2) A), one sulfate O atom (Cu-O = 2.0037(17) A) and one water O atom (Cu-O(Sw) = 2.719(2) A,) in a distorted octahedral geometry. Extensive hydrogen-bonding interactions are involved in water molecules, ligated sulfate anions and fumaric acid molecules. In addition, π-π interactions via aromatic nitrogen-containing ligands are also discussed. The combination of non-covalent interactions leads to the formation of a 3-D network structure.The title compound, [Cu(phen)2(SO4)(H2O)]·0.5C4H4O4·7H2O (phen = 1,10-phe-nan throline and C4H4O4 = fumaric acid), has been synthesized and characterized by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1^- with a = 11.4827(2), b = 11.9086(2), c = 13.77350(10) A, α = 80.6830(10), β = 66.6480(10), γ = 64.048000)°, V = 1554.63(4) A^3, Mr = 722.17, Z = 2, Dc = 1.543 g/cm^3,μ = 0.845 mm^-1, F(000) = 750, R = 0.0349 and wR = 0.0837 for 4754 observed reflections (1 〉 2σ(I)). The compound contains a six-coordinated copper(Ⅱ) center, which is surround by four N atoms of two phen ligands (Cu-N distances in the range of 1.997(2)- 2.225(2) A), one sulfate O atom (Cu-O = 2.0037(17) A) and one water O atom (Cu-O(Sw) = 2.719(2) A,) in a distorted octahedral geometry. Extensive hydrogen-bonding interactions are involved in water molecules, ligated sulfate anions and fumaric acid molecules. In addition, π-π interactions via aromatic nitrogen-containing ligands are also discussed. The combination of non-covalent interactions leads to the formation of a 3-D network structure.
关 键 词:copper compound N-containing ligand HYDROGEN-BONDING π-π interactions
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