The energy minimization results presented in Table offer crucial insights into the stability of different cagecisplatin complexes. Notably, the endo-N Cu 2 L 4 complex achieved the lowest energy value of -4226.056 Hartree. However, it is essential to highlight that this complex failed to achieve energy convergence without cisplatin (as shown in Table ). This indicates that cisplatin plays a significant role in stabilizing the endo-N Cu 2 L 4 metallacage, facilitating its energy convergence.