Based on symmetry and structural parameters, there are a total of eight unique magnetic exchange interactions (J1-J8) present in 1. These interactions are estimated using density functional theory (DFT) in the Gaussian 16 suite on model complex 1A derived from 1 (Fig. ). We have used the diamagnetic substitution method where we keep only the two paramagnetic Fe III ions of interest and replace all others paramagnetic Fe III metal ions with diamagnetic Ga III ions. This method is known to be reliable for molecular systems with moderate magnetic exchange interactions. Noodleman's broken symmetry approach 7 is used to calculate the magnetic exchange coupling constants. The B3LYP functional along with Ahlrichs TZV basis set is used for Fe, Ga; and the 6-31G* basis set for Cl, O, N, C and H to estimate the magnetic exchange coupling constants. The methodology is known to reproduce the experimental J values for 3d metal clusters. Figure S10. Model complex 1A derived from 1. Colour code as in Figure .