{[Cd(bpo)(SCN)2]•CH3CN}n:: A novel three-dimensional (3D) noninterpenetrated channel-like open framework with porous properties

Reaction of CdCl2.0.5H(2)O with 2,5-bis(4-pyridyl)-1,3,4-oxodiazole (bpo) and NH4SCN in a 1:1:2 molar ratio under CH3CN-H2O medium afforded a novel neutral three-dimensional (3D) coordination polymer {[Cd(bpo)(SCN)(2)].CH3CN}(n) (1) [monoclinic, space group P2(1)/c, a = 7.680(2) Angstrom, b = 10.029(3) Angstrom, c = 25.786(7) Angstrom, beta = 93.779(5)degrees Z = 4]. The crystal structure reveals that 1 has a 3D noninterpenetrating open framework with guest CB3CN molecules in the cavities, in which the Cd-II centers (with CdN4S2 octahedral geometry) are bridged by the bpo molecules and SCN- groups. It is interesting that the two-dimensional sheet in this 3D network consists of 16-membered [Cd-4(mu-SCN-N,S)(4)] rings, and the bpo molecules extend these layers to a 3D structure, which is further stabilized by C-(HN)-N-... hydrogen-bonding and strong pi-pi-stacking interactions. Thermogravimetric analysis and X-ray powder diffraction technique measurements illustrate that the framework of 1 is retained upon removal of the uncoordinated guest acetonitrile molecules, indicating that 1 might be used to generate microporous material.