Unraveling the Electrical and Magnetic Properties of Layered Conductive Metal‐Organic Framework With Atomic Precision

This paper describes structural elucidation of a layered conductive metal-organic framework (MOF) material Cu3(C6O6)2 by microcrystal electron diffraction with sub-angstrom precision. insight enables the first identification an unusual π-stacking interaction in MOF characterized extremely short (2.73 Å) close packing ligand arising from pancake bonding and ordered water clusters within pores. Band structure analysis suggests semiconductive properties MOF, which are likely related to localized nature bonds formation singlet dimer ligand. The spin CuII Kagomé arrangement dominates paramagnetism leading strong geometrical magnetic frustration.