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(a) Schematic representation of the chemical structure of the investigated molecules with thiolate (−S), mehtylthiolate (−CH2S), isocyanide (−NC), and pyridine (−Pyr) anchoring groups, respectively; (b) structure of the densely packed (Θ = 1) (−Pyrad) junction and (c) the corresponding model system for the single-molecule situation (Θ = 1/16). The unit cells are indicated as blue boxes.
