Fig. 1: Representations of the average structure of UoB-100(Dy).

a Molecular structure of linker L. b Arrangement of the linker in the average structure, illustrating the disordered up/down configuration and its connectivity to four nodes. Parts of two additional linkers are shown in transparent to highlight the connectivity of the nodes along c. Note the absence of coordinated components between the nodes, indicating their stabilization through electrostatic interactions. c Average unit cell of the crystal structure shown from above (i.e. along the c-axis) and the side. Colour scheme: Dy = gray polyhedra, C = black, O = red, N = blue. Linker in the top image is shown with ellipsoids at 50% probability. d The average structure of the Dy node (top left) can be understood as a superposition of two nonanuclear clusters at a different orientation (top right). Each cluster has a corresponding hexapole charge distribution (middle). For simplicity, we represent these hexapole orientations as black and white hexagonal tiles (bottom). e Antiferrohexapolar arrangements are electrostatically favourable, both between clusters stacked along the columns (i.e. along c) and within the same layer (i.e. in the ab plane.) (c, d: atom colours, Dy, light grey; C, black; N, blue; O, red).