[Fe(4′-PhStpy)2][PF6]2 (4′-PhStpy = 4′-phenylthio-2,2′:6′,2″-terpyridine): A centrosymmetric embrace

The syntheses and characterizations of 4′-phenylthio-2,2′:6′,2″-terpyridine (4′-PhStpy) and [Fe(4′-PhStpy)2][PF6]2 are reported. In the solid state, centrosymmetric pairs of [Fe(4′-PhStpy)2]2 + cations in [Fe(4′-PhStpy)2][PF6]2·2MeCN associate through face-to-face π-stacking of pyridine rings, and twisting of the PhS substituents enables the cations to embrace one another, capturing four MeCN solvate molecules within the {Fe(4′-PhStpy)2}2-motif.

Graphical abstractAssembly of centrosymmetric pairs of [Fe(4′-PhStpy)2]2 + cations (4′-PhStpy = 4′-phenylthio-2,2′:6′,2″-terpyridine) results in a {Fe(4′-PhStpy)2}2-host that captures four MeCN molecules in [Fe(4′-PhStpy)2][PF6]2·2MeCN.Figure optionsDownload full-size imageDownload as PowerPoint slideHighlights► 4′-Phenylthio-2,2′:6′,2″-terpyridine (4′-PhStpy) ligand. ► Crystal structures of 4′-PhStpy and [Fe(4′-PhStpy)2][PF6]2. ► Centrosymmetric embrace of [Fe(4′-PhStpy)2]2 + cations. ► Host–guest interactions.