Structure of bis[μ-4-amino-3,5-bis(aminomethyl)-1,2,4-triazole-N',N1,N2,N'']-bis[diaquacopper(II)] bis(sulfate) tetrahydrate

Abstract

Cu(C4HloN6)(H20)212(SO4)2.4H20, Mr = 747.6,monoclinic, C2/c, a= 19.009(8), b= 11.273 (4), c = 13.144(7)/~, fl = 103.50(4) °, Z = 4 (dinuclear units), Dx = 1.81 g cm -3, A = 0.71073/~, /z = 17.88 cm-1, F(000) = 1544, T = 293 K, final R =0.0583, wR=0.0619 for 1019 reflections [I> 20,(/)].The title compound represents the first doubly N1,N2 triazole-bridged copper(II) compound in which the anion is not involved in coordination.The symmetry-dependent copper(II) ions are in a distorted octahedral environment, with four N-donor atoms of the triazole ligand in the equatorial positions of which the Cu--N(triazole) distances [1.954 (9) and 1.96 (1)/~] are shorter than the Cu--N(amino) distances [2.04 (1) and 2.052 (9)A].Two water molecules are coordinated axially at 2.60 (1) and 2.63 (1)/k.The sulfate anions are not coordinated and are fixed in the lattice by an extended hydrogen-bonding network with the amino group of the triazole and the water molecules.