To gain insight into the stabilization each acetate/imidazole ligand provides in a given coordination shell (CS) around Zn(II), we have applied a per-ligand decomposition protocol of the total interaction between the Zn(II) and a given ligand in a coordination sphere. First, the overall interaction with Zn(II) is decomposed into two contributions: the interaction with Zn(II) in a preorganized coordination shell (CS), and the energy penalty paid for forming that coordination shell (CS) without the metal.