Crystal Structure, Phase Transition and Thermal Behaviour of Dabcodiium hexaaquacopper(II) bis(selenate/sulfate), (C6H14N2)[Cu(H2O)6](S0.66Se0.34O4)2

Abstract

A new organically templated metal sulfate/selenate has been synthesized by the slow evaporation method and crystallographically characterized. At room temperature, the dabcodiium hexaaquacopper(II) bis(selenate/sulfate), (C6H14N2)[Cu(H2O)6](S0.66Se0.34O4)2, crystallizes in the monoclinic symmetry (space group P21/n) with the following unit cell parameters: a = 7.0150(2), b = 12.5810(2), c = 9.9470(2) A; β = 90.820(1)° and Z = 2. Its crystal structure is built from isolated [Cu(H2O)6]2+, (S/SeO4)2− and disordered (C6H14N2)2+ ions linked together by a three-dimensional hydrogen-bonded network. The title compound undergoes an irreversible phase transition at 223 K on cooling run. The thermodiffractometry and the thermogravimetric analyses indicate that its decomposition proceeds through four stages giving rise to the copper oxide. The crystal structure of (C6H14N2)[Cu(H2O)6](S0.66Se0.34O4)2 is built from isolated [Cu(H2O)6]2+, (S/SeO4)2− and disordered (C6H14N2)2+ ions linked together by a three-dimensional hydrogen-bonded network