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Synthesis and Crystal Structure of a Dinuclear Complex:Bis[aqua(phen)(4-aba)copper(Ⅱ)nitrate(4-abaH)dihydrate]

Synthesis and Crystal Structure of a Dinuclear Complex:Bis[aqua(phen)(4-aba)copper(Ⅱ)nitrate(4-abaH)dihydrate]
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摘要 The title complex has been obtained by the reaction of copper nitrate trihydrate with 4-abaH (4-abaH = 4-aminobenzonic acid) and phenanthroline in ethanol solution, and its structure was determined by X-ray crystallography with the following data: monoclinic, space group C2/c, M, = 1266.13, Cu2C52H54N10O20, a = 25.884(5), b = 10.205(2), c = 20.849(4) A, β= 106.34(3)°, Z= 4, V= 5284.7(18) A^3, F(000) = 2616, Dc = 1.591 g/cm^3, μ = 0.896 mm ^-1, the final R = 0.0441 and wR = 0.1148 for 4200 observed reflections (Ⅰ 〉 2σ(Ⅰ)). In the molecule of the title complex, the asymmetric unit contains one half molecule, The Cu(Ⅱ) atom is five-coordinated by a tenninal water molecule, a bidentate phcnanthroline and two monodentate 4-ammobenzoate ligands forming a square pyramidal coordination environment. The two bridging 4-aminobenzoate ligands result in a dinuclear copper(Ⅱ) cluster with a short Cu-Cu distance (3.048 A) and a π-π rstacking between the adjacent phenanthroline rings (2.96 A). The title complex has been obtained by the reaction of copper nitrate trihydrate with 4-abaH (4-abaH = 4-aminobenzonic acid) and phenanthroline in ethanol solution, and its structure was determined by X-ray crystallography with the following data: monoclinic, space group C2/c, M, = 1266.13, Cu2C52H54N10O20, a = 25.884(5), b = 10.205(2), c = 20.849(4) A, β= 106.34(3)°, Z= 4, V= 5284.7(18) A^3, F(000) = 2616, Dc = 1.591 g/cm^3, μ = 0.896 mm ^-1, the final R = 0.0441 and wR = 0.1148 for 4200 observed reflections (Ⅰ 〉 2σ(Ⅰ)). In the molecule of the title complex, the asymmetric unit contains one half molecule, The Cu(Ⅱ) atom is five-coordinated by a tenninal water molecule, a bidentate phcnanthroline and two monodentate 4-ammobenzoate ligands forming a square pyramidal coordination environment. The two bridging 4-aminobenzoate ligands result in a dinuclear copper(Ⅱ) cluster with a short Cu-Cu distance (3.048 A) and a π-π rstacking between the adjacent phenanthroline rings (2.96 A).
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第3期263-266,共4页 结构化学(英文)
基金 the Natural Science Startup Foundation of Jinan University (No. 51204005)
关键词 dinuclear copper(Ⅱ) PHENANTHROLINE 4-aminobenzonic acid crystal structure dinuclear copper(Ⅱ), phenanthroline, 4-aminobenzonic acid, crystal structure
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