New Pd–Zn coordination polymers incorporating a PdII complex were prepared in one-pot reactions from isonicotinic acid, K2[PdCl4] and ZnII ions in water. Depending on the reaction conditions, four new types of Pd–Zn coordination polymers (one-, two- and three-dimensional networks), which consist of a PdII complex coordinated by two or four isonicotinic acids, were formed. The structures were determined by single-crystal X-ray diffraction, X-ray powder diffraction, TGA and CHN elemental analysis. Interestingly, for the N2 and H2 gas adsorption measurements at 77 K and 760 Torr, two of the new Pd–Zn coordination polymers show selective H2 gas adsorption performances. Therefore, these complexes may be potentially attractive materials for heterogeneous catalysts or for H2 gas separation for hydrogenation reactions.