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Synthesis and Crystal Structure of [Cd(NBA)(μ_3-OH)(4,4′-bipy)_(1/2)]_n

Synthesis and Crystal Structure of [Cd(NBA)(μ_3-OH)(4,4′-bipy)_(1/2)]_n
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摘要 A new cadmium polymer [Cd(NBA)(μ3-OH)(4,4'-bipy)1/2]n 1 (NBA=m-nitrobenzoic acid and 4,4'-bipy=4,4-bipyridine) has been synthesized by hydrothermal reaction. Its structure was determined by single-crystal X-ray diffraction method, and characterized by elemental analysis and IR spectrum. The crystal is of monoclinic, space group C2/c, with a=15.6912(9), b=25.9394(15), c=6.7332(4)A, β=114.7700(10)°, V=2488.4(3)A^3, C12H9CdN2O5, Mr=373.61, Z=8, Dc=1.995 g/cm^3,μ=1.776 mm^-1, F(000)=1464, R=0.0411 and wR=0.1128 for 2130 observed reflections (I 〉 2σ(I)).X-ray diffraction studies reveal that the compound features a layered structure, in which 4,4'-bipy ligands bridge Z type of double chains [Cd(μ3-OH)]n and NBA ligands locate at the two sides of the layer. The π-π interactions between the benzene rings of NBA ligands of two adjacent layers lead to the 3D framework. A new cadmium polymer [Cd(NBA)(μ3-OH)(4,4'-bipy)1/2]n 1 (NBA=m-nitrobenzoic acid and 4,4'-bipy=4,4-bipyridine) has been synthesized by hydrothermal reaction. Its structure was determined by single-crystal X-ray diffraction method, and characterized by elemental analysis and IR spectrum. The crystal is of monoclinic, space group C2/c, with a=15.6912(9), b=25.9394(15), c=6.7332(4)A, β=114.7700(10)°, V=2488.4(3)A^3, C12H9CdN2O5, Mr=373.61, Z=8, Dc=1.995 g/cm^3,μ=1.776 mm^-1, F(000)=1464, R=0.0411 and wR=0.1128 for 2130 observed reflections (I 〉 2σ(I)).X-ray diffraction studies reveal that the compound features a layered structure, in which 4,4'-bipy ligands bridge Z type of double chains [Cd(μ3-OH)]n and NBA ligands locate at the two sides of the layer. The π-π interactions between the benzene rings of NBA ligands of two adjacent layers lead to the 3D framework.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第8期917-919,共3页 结构化学(英文)
基金 This work was supported by the State Key Basic Research and Development Plan of China (001 CB108906) the YIF of Fujian Province (2005J060) the Major Special Foundation of Fujian Province (2005HZ1027, 2005HZ01-1)
关键词 cadmium polymer 4 4'-bipyridine m-nitrobenzoic acid crystal structure cadmium polymer,4,4'-bipyridine,m-nitrobenzoic acid,crystal structure
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