文摘
Four hybrid inorganic-metalorganic compounds containing copper(II)-monosubstituted Keggin polyoxotungstates,K3[CuI(4,4'-bpy)]3[SiW11CuIIO39]·11H2O (1), (paraquat)3[SiW11CuIIO39]·6H2O (2; paraquat = N,N'-dimethyl-4,4'-bipyridinium), K3[CuI(4,4'-bpy)]3[GeW11CuIIO39]·11H2O (3), and Na2[CuI(4,4'-bpy)]3[PW11CuIIO39(H2O)]·4H2O (4), havebeen synthesized under autogenous pressure hydrothermal conditions and characterized by elemental analysisand infrared spectroscopy (FT-IR). The crystal structures of 1, 2, and 4 have been established by single-crystalX-ray diffraction. The crystal packings are characterized by the presence of monodimensional extended entities:either the polymeric polyanion [SiW11CuO39]n6n- (2), the cationic [Cu(4,4'-bpy)]nn+ chain (4), or both simultaneouslyas in compound 1, where the inorganic and metalorganic sublattices are mutually perpendicular. To asses theinfluence of packing in the copper(I) complex structural diversity found in compounds 1 and 4, a search in the CSDdatabase has been performed and the resulting geometrical features have been analyzed and compared withexperimental crystallographic data and DFT calculations.