A three-dimensional porous and magnetic framework constructed from copper salt and 5-Methyltetrazole: [Cu8(Metz)9](OH)·xH2O

A new compound of [Cu8(Metz)9](OH)·xH2O (x≈3) (1) (Metz = 5-Methyltetrazole) has been prepared and characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The crystal is of hexagonal, space group P63/m with a = b = 13.988(1) A, c = 16.309(2) A, α = β = 90°, γ = 120°, V = 2 763.5 (4) A3, Mr = 1327.13, D c = 1.595 g cm−3, Z = 2, F(000) = 1 316, μ = 3.076 mm−1, the final R = 0.0494 and wR = 0.1532 for 1,731 observed reflections (I > 2σ(I)). In this compound, the [(CuII)2(CuI)6(Metz)9]+ cationic clusters are connected together through CuI cations and Metz ligands and result in a three-dimensional framework. Remarkable, three-dimensional intersecting channels exist in it. The variable temperature magnetic investigations indicate that 1 exhibits typical antiferromagnetic behaviors. N2 gas adsorption measurements at 77 K showed that compound 1 possesses permanent porosities.