title: Reversible shuttle action upon dehydration and rehydration processes in cationic coordinatively-bonded (4,4) square-grid nets threaded by supramolecular bonded anions, {[Cu(II)(4,4'-bpy)2(H2O)][Cu(II)(2-pySO3)3](NO3)}·H2O.
abstract: {[Cu(II)(4,4'-bpy)(2)(H(2)O)][Cu(II)(2-pySO(3))(3)](NO(3))}·H(2)O, obtained serendipitously by the reaction of the constituents in water, consists of parallel coordinatively bonded cationic (4,4) corrugated square-grids polymer of {[Cu(II)(4,4'-bpy)(2)(H(2)O)](2+)}(n) threaded by π-π and H-bonded supramolecular chains of [Cu(II)(2-pySO(3))(3)](-) through the open squares. A single-crystal to single-crystal transformation takes place upon removal of the noncoordinated water by controlled heating. The resulting structure exhibits a rearrangement of the coordination of the copper atoms in the grids, where the Cu-H(2)O bond is elongated from 2.250(3) to 2.628(3) Å while the Cu-NO(3) is shortened from 3.122(3) to 2.796(1) Å. This process is reversible as demonstrated by the single crystal structure after rehydration with corresponding bond distances of 2.224(3) and 3.152(3) Å. Such a cooperative effect may be associated with the Jahn-Teller distortion of the copper(II) ion accompanying the shuttle action of the hydrogen-bonded water and nitrate moiety.
authors.affiliation: Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources (Ministry of Education), School of Chemistry and Chemical Engineering of Guangxi Normal University, Guilin 541004, PR China.
authors.forename: Yi-Min
authors.initials: YM
authors.lastname: Jiang
authors.forename: Zheng
authors.initials: Z
authors.lastname: Yin
authors.forename: Kun-Huan
authors.initials: KH
authors.lastname: He
authors.forename: Ming-Hua
authors.initials: MH
authors.lastname: Zeng
authors.forename: Mohamedally
authors.initials: M
authors.lastname: Kurmoo
mesh_terms: D000838:Anions / Q000737:chemistry; D002412:Cations / Q000737:chemistry; D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D003681:Dehydration; D046911:Macromolecular Substances / Q000138:chemical synthesis / Q000737:chemistry*; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*
chemical_list: D000838:Anions; D002412:Cations; D046911:Macromolecular Substances; D009942:Organometallic Compounds; D003300:Copper