An inorganic–organic hybrid material with a novel oxometallic framework: Hydrothermal synthesis and characterization of [Zn3O3(C13H14N2)3]V6O15

A new hybrid material [Zn3O3(C13H14N2)3]V6O15 (1) with extended framework structure has been synthesized hydrothermally and characterized by vibrational spectroscopy, thermogravimetry and complete single crystal X-ray diffraction analysis. The compound has a complex three-dimensional covalent framework structure. It exhibits a fully oxidized novel oxometallic framework containing 10-membered {V4ZnO5} oxometalate rings and 4,4′-trimethylene dipyridine ligands (C13H14N2) that connect pairs of crystallographically equivalent zinc atoms. The extended structure of 1 may also be viewed as containing a framework of corner-sharing {VO4} and {ZnO2N2} polyhedra together with 4,4’-trimethylene dipyridine ligands linking zinc centers. The hybrid material is thermally stable up to 323 °C. It contains metal centers and coordination geometry that make it a potentially attractive model compound for investigating the structures of metallo-organic biomolecules by use of solid state NMR spectroscopic techniques. Crystal data for C39H42N6O18V6Zn3: monoclinicic P21, a = 10.9894(9) Å, b = 18.1493 (15) Å, c = 13.0903 (11) Å, β = 109.8880(10)°, V = 2455.1(4) Å3, Z = 2, Dcalc. = 1.873 Mg/m3.