Fig. 1
From: Quantum Monte Carlo simulations of a giant {Ni21Gd20} cage with a S = 91 spin ground state
The structure of nanocage {Ni21Gd20} determined by X-ray crystallography. a The polyhedron structures of {Ni21Gd20} core with the organic ligands removed for clarity; b The coordination mode of the DPGA2– ligand in this compound; c The magnetic coupling schemes of the metal centers in {Ni21Gd20} core. J1 = Ni∙∙∙Ni, J2 = Gd∙∙∙Gd, J3 = Ni∙∙∙Gd; Color codes: Gd purple, Ni cyan, N green, O orange, C gray
