Finally, in Figure , we sum up all the electrostatic contributions per cluster. In general, electrostatics tends to slightly favour octahedral complexes with a larger number of acetates. Interestingly, a peak of total NCE interactions is seen for the [Zn(Im) 1 (Ac) 3 ] -cluster as it reaches a saturation point. This saturation point is dictated by the lower electrostatic repulsion each acetate experiences in the coordination shell, thus favoring it over the [Zn(Ac) 4 ] 2-cluster. The slightly higher total NCE interaction seen for octahedral clusters is related to the geometry of the clusters, which more effectively distributes the same amount of charges surrounding the Zn(II) metal resulting in slightly lower repulsion amongst acetates. This event is better captured for the [Zn(Ac) 4 ] 2-cluster, where electrostatic repulsion is at its maximum, and the geometry difference plays a significant role. As expected, the total NCE interaction decreases as the number of acetates also decreases, obtaining a clear minimum for the [Zn(Im) 4 ] 2+ cluster for both tetrahedral and octahedral clusters.