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Nimax, P. R. and Sünkel, K. (2021): Coordination chemistry of polynitriles, part VII. The crystal structures of barium (II) and lead (II) pentacyanocyclopentadienide. In: Polyhedron, Vol. 205, 115311

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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 pi stacking of coordinated and uncoordinated PCC anions.

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