The construction of polyhedral cages from metal-ligand bonds is an attractive pathway for realizing nanoscale molecular self-assemblies. Our group has established a facile protocol for preparing neutral polyhedral Pd(II) cages in tetrahedral and cubic topologies supported by the elusive tris(imido)phosphate trianions, [(RN)3PO]3‒ ((X)3‒ ), analogous to PO4 3− ion as the cis-protecting units. The corners of these cages consist of (Pd3X)3+ clusters, while the linkers are based on the wide-angle chelating ligands such as oxalate, pyrazine dicarboxylate and anilate dianions. All the obtained cage assemblies offer excellent platforms for studying host-guest chemistry in solution as well as in the solid-state and post-assembly reactions. Recently, by employing oximido ligands as the linkers, we could to map the intermediates involved in the assembly of these tetrahedral cages. Interestingly, the oximido ligands were found to act as directing template ligand for the synthesis of hitherto unknown chloro-bridged cubic cage assembly containing the (Pd3X)3+ clusters. Moreover, using the anilatetethered tetrahedral cages, the encapsulation of the ortho-, meta-, and para-carborane isomers have been established as examined by MS, IR, NMR, hydrodynamic radius and DFT studies.