Coordination polymer particles (CPPs) with a high degree of porosity and multi-functional reaction sites are promising for diverse applications. The integration of open sites favorable for the post-modification of CPPs presents a unique opportunity for the rational design of inorganic materials with target-oriented functions. Herein, we report a shape-controllable synthetic protocol for zinc-based coordination polymer nanocubes (Zn-CPNs). In the synthesis, 2, 6-bis[(4-carboxyanilino)carbonyl] pyridine ([N3]) ligand is employed as an efficient shape-directing modulator to control the size and shape of Zn-CPNs. More importantly, the [N3] ligand provides metal binding sites suitable for the decoration of other functional metals such as copper ions. The copper-modified Zn-CPNs (Cu_Zn-CPNs) show good activities in a heterogeneous catalytic reaction.