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Hydrothermal Synthesis, Structural Investigation and Characterization of an Organic-inorganic Hybrid, [Co(BⅡM)_3]_2H[BW_(12)O_(40)]·7H_2O

Hydrothermal Synthesis, Structural Investigation and Characterization of an Organic-inorganic Hybrid, [Co(BⅡM)_3]_2H[BW_(12)O_(40)]·7H_2O
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摘要 An organic-inorganic hybrid based on a-Keggin-typed [BWI2040]5- anionic cluster, [Co(BIIM)3]2H[BWx2040]'7H20 (BIIM = 2,2"-biimidazole), was hydrothermally synthesized and structurally characterized by thermogravimetric analysis, IR and UV spectra. The title compound crystallizes in monoclinic, space group P21/n with a = 12.3490(10), b = 33.270(3), c = 18.9660(16) A, β = 105.9950(10)°, V= 7490.5(11) A3, C36HsoBCo2N24047W12, Mr = 3905.80, Dc = 3.45 l g/cm3, μ(MoKa) = 18.886 rnm-1, F(000) = 6972, Z = 4, S = 1.004, the final R = 0.0404 and wR = 0.0914 for 14683 observed reflections (1 〉 2tr(/)). The compound consists of two isolated [Co(BIIM)3]2+ cations and one [BW12040]5 anion, in which each Co2+ ion is coordinated by six N atoms from three BIIM ligands displaying a regular CoN6 octahedron. These components are finally linked together via N-H...O(polyoxometalate and wate) hydrogen bonds into a two-dimensional framework. Full investigation of the intermolecular interactions by Hirshfeld surface and fingerprint plots clearly indicates that there are rare W--Oterminal···πimidazole ring interactions which cooperate with the classical N-H···O hydrogen bonds to stabilize the structural packing. An organic-inorganic hybrid based on a-Keggin-typed [BWI2040]5- anionic cluster, [Co(BIIM)3]2H[BWx2040]'7H20 (BIIM = 2,2"-biimidazole), was hydrothermally synthesized and structurally characterized by thermogravimetric analysis, IR and UV spectra. The title compound crystallizes in monoclinic, space group P21/n with a = 12.3490(10), b = 33.270(3), c = 18.9660(16) A, β = 105.9950(10)°, V= 7490.5(11) A3, C36HsoBCo2N24047W12, Mr = 3905.80, Dc = 3.45 l g/cm3, μ(MoKa) = 18.886 rnm-1, F(000) = 6972, Z = 4, S = 1.004, the final R = 0.0404 and wR = 0.0914 for 14683 observed reflections (1 〉 2tr(/)). The compound consists of two isolated [Co(BIIM)3]2+ cations and one [BW12040]5 anion, in which each Co2+ ion is coordinated by six N atoms from three BIIM ligands displaying a regular CoN6 octahedron. These components are finally linked together via N-H...O(polyoxometalate and wate) hydrogen bonds into a two-dimensional framework. Full investigation of the intermolecular interactions by Hirshfeld surface and fingerprint plots clearly indicates that there are rare W--Oterminal···πimidazole ring interactions which cooperate with the classical N-H···O hydrogen bonds to stabilize the structural packing.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第9期1346-1352,共7页 结构化学(英文)
基金 Supported by the Natural Science Foundation of Henan Province(No.102300410021)
关键词 crystal structure COBALT KEGGIN Hirshfeld surface fingerprint plots crystal structure, cobalt, Keggin, Hirshfeld surface, fingerprint plots
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