Coordination chemistry of polynitriles, part VII. The crystal structures of barium (II) and lead (II) pentacyanocyclopentadienide. (1st September 2021)

• Record Type: Journal Article
• Authors: Nimax, P.R.; Sünkel, K.
• Is Part Of: Polyhedron. Volume 205(2021)
• Publication Date: 2021-09-01
• Subjects: MOF -- Coordination polymer -- Pentacyanocyclopentadienide complexes; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2021.115311
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: Recrystallization of [Pb{C5 (CN)5 }2 ] from nitromethane yields a coordination polymer with large voids. Lead forms a PbN6 O4 polyeder and pentacyanocyclopentadienide acts as tridentate bridging ligand. Nitromethane recrystallization of [Ba{C5 (CN)5 }2 ] gives a coordination polymer with small voids, filled with water. Two pentacyanocyclopentadienide- and water-bridged Ba 2+ ions form BaN5 O4 and BaN3 O6 polyhedra. Abstract: Recrystallization of the reaction product from PbCl2 and silver pentacyanocyclopentadienide (AgPCC) from nitromethane yields a coordination polymer with a rather open structure. MeNO2 acts exclusively as a bidentate chelating ligand and the PCC anions act as 1, 2 or 1, 3 bidentate bridging ligands. When the analogous product from BaCl2 and AgPCC was recrystallized from MeNO2, a more dense coordination polymer was produced, in which the solvent only partially acted as monodentate ligand. The PCC anions are either tetradentate, bidentate or non-coordinating. The polymer is held together by an interplay of covalent Ba–N bonds, hydrogen bonds between coordinated and lattice water molecules and uncoordinated nitrile functions and π stacking of coordinated and uncoordinated PCC anions.