Channels with ordered water and bipyridine mol-ecules in the porous coordination polymer {[Cu(SiF6)(C10H8N2)2]·2C10N2H8·5H2O} n

Emmanuel Aubert; Abdelatif Doudouh; Paola Peluso; Victor Mamane

doi:10.1107/S2056989016016686

Channels with ordered water and bipyridine mol-ecules in the porous coordination polymer {[Cu(SiF₆)(C₁₀H₈N₂)₂]·2C₁₀N₂H₈·5H₂O} _n

Acta Crystallogr E Crystallogr Commun. 2016 Oct 25;72(Pt 11):1654-1658. doi: 10.1107/S2056989016016686. eCollection 2016 Nov 1.

Authors

Emmanuel Aubert¹, Abdelatif Doudouh¹, Paola Peluso², Victor Mamane³

Affiliations

¹ Cristallographie, Résonance Magnétique et Modélisations (CRM2), UMR CNRS, 7036, Université de Lorraine, BP 70239, Bd des Aiguillettes, 54506, Vandoeuvre-les-Nancy, France.
² Istituto di Chimica Biomolecolare ICB CNR - Sede Secondaria di Sassari, Traversa La Crucca 3, Regione Baldinca, I-07100 Li Punti - Sassari, Italy.
³ Institut de Chimie de Strasbourg, UMR 7177, Equipe LASYROC, 1 rue Blaise Pascal, BP 296 R8, 67008 Strasbourg Cedex, France.

Abstract

The coordination polymer {[Cu(SiF₆)(C₁₀H₈N₂)₂]·2C₁₀H₈N₂·5H₂O} _n , systematic name: poly[[bis-(μ₂-4,4'-bi-pyridine)(μ₂-hexa-fluorido-silicato)copper(II)] 4,4'-bi-pyridine disolvate penta-hydrate], contains pores which are filled with water and 4,4'-bi-pyridine mol-ecules. As a result of the presence of these ordered species, the framework changes its symmetry from P4/mmm to P2₁/c. The 4,4'-bi-pyridine guest mol-ecules form chains inside the 6.5 × 6.9 Å pores parallel to [100] in which the mol-ecules inter-act through π-π stacking. Ordered water mol-ecules form infinite hydrogen-bonded chains inside a second pore system (1.6 × 5.3 Å free aperture) perpendicular to the 4,4'-bi-pyridine channels.

Keywords: 4,4′-bipyridine; Porous coordination polymer; adsorption; copper(II); crystal structure; hydrogen bonding; π–π stacking.