title: Bis[(dihydrogen pyrophosphato-κ(2)O,O')(2,2':6',2''-terpyridine-κ(3)N,N',N'')copper(II)] 4.5-hydrate.
abstract: The title copper complex, [Cu(H(2)P(2)O(7))(C(15)H(11)N(3))](2)·4.5H(2)O, consists of two very similar independent Cu(Tpy)H(2)P(2)O(7) monomeric units (Tpy is 2,2':6',2''-terpyridine) plus four and a half water molecules of hydration, some of which are disordered. Tpy units bind through the usual triple bite via their N atoms, and the H(2)P(2)O(7)(2-) anions coordinate through two O atoms from two different phosphate units. Each independent CuN(3)O(2) chromophore can be described as a slightly deformed square pyramid, with one of them having a sixth, semicoordinated, O atom from a centrosymmetrically related CuN(3)O(2) unit in a weakly bound second apical position suggesting an octahedral environment for the cation and weak dimerization of the molecule. The two independent complex molecules are connected via two strong O-H···O interactions between the phosphate groups to form hydrogen-bonded dinuclear units, further linked into [111] columns, resulting in a very complex three-dimensional supramolecular structure through a variety of classical and nonclassical hydrogen bonds, as well as π-π interactions.
authors.affiliation: INQUIMAE, Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, UBA, Buenos Aires, Argentina.
authors.forename: Mireille
authors.initials: M
authors.lastname: Perec
authors.forename: Ricardo
authors.initials: R
authors.lastname: Baggio
mesh_terms: D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D019281:Dimerization; D004050:Ditiocarb / Q000031:analogs & derivatives; D006860:Hydrogen Bonding; D007477:Ions / Q000737:chemistry*; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*; D011725:Pyridines / Q000737:chemistry*
chemical_list: D007477:Ions; D009942:Organometallic Compounds; D011725:Pyridines; C559602:bis((dihydrogen pyrophosphato-kappa(2)O,O')(2,2':6',2''-terpyridine-kappa(3)N,N',N'')copper(II)) 4.5-hydrate; C063941:bis(dihydroxyethyldithiocarbamate)Cu (II) complex; D003300:Copper; D004050:Ditiocarb