title: Hybrid inorganic-metalorganic compounds containing copper(II)-monosubstituted Keggin polyanions and polymeric copper(I) complexes.
abstract: Four hybrid inorganic-metalorganic compounds containing copper(II)-monosubstituted Keggin polyoxotungstates, K3[Cu(I)(4,4'-bpy)]3[SiW11Cu(II)O39].11H2O (1), (paraquat)3[SiW11Cu(II)O39].6H2O (2; paraquat = N,N'-dimethyl-4,4'-bipyridinium), K3[Cu(I)(4,4'-bpy)]3[GeW11Cu(II)O39].11H2O (3), and Na2[Cu(I)(4,4'-bpy)]3[PW11Cu(II)O39(H2O)].4H2O (4), have been synthesized under autogenous pressure hydrothermal conditions and characterized by elemental analysis and infrared spectroscopy (FT-IR). The crystal structures of 1, 2, and 4 have been established by single-crystal X-ray diffraction. The crystal packings are characterized by the presence of monodimensional extended entities: either the polymeric polyanion [SiW11CuO39]n(6n-) (2), the cationic [Cu(4,4'-bpy)]n(n+) chain (4), or both simultaneously as in compound 1, where the inorganic and metalorganic sublattices are mutually perpendicular. To asses the influence of packing in the copper(I) complex structural diversity found in compounds 1 and 4, a search in the CSD database has been performed and the resulting geometrical features have been analyzed and compared with experimental crystallographic data and DFT calculations.
authors.affiliation: Departamento de Química Inorganica, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apartado 644, E-48080 Bilbao, Spain.
authors.forename: Leire
authors.initials: L
authors.lastname: San Felices
authors.forename: Pablo
authors.initials: P
authors.lastname: Vitoria
authors.forename: Juan M
authors.initials: JM
authors.lastname: Gutiérrez-Zorrilla
authors.forename: Luis
authors.initials: L
authors.lastname: Lezama
authors.forename: Santiago
authors.initials: S
authors.lastname: Reinoso