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Abstract:

The title copper complex, [Cu(H2P2O 7)(C15H11N3)]2·4. 5H2O, consists of two very similar independent Cu(Tpy)H 2P2O7 monomeric units (Tpy is 2,2′:6′,2″-terpyridine) plus four and a half water mol-ecules of hydration, some of which are disordered. Tpy units bind through the usual triple bite via their N atoms, and the H2P2O7 2- anions coordinate through two O atoms from two different phosphate units. Each independent CuN3O2 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 3O2 unit in a weakly bound second apical position suggesting an octa-hedral environment for the cation and weak dimerization of the molecule. The two independent complex molecules are connected via two strong O - H⋯O inter-actions between the phosphate groups to form hydrogen-bonded dinuclear units, further linked into [111] columns, resulting in a very complex three-dimensional supra-molecular structure through a variety of classical and nonclassical hydrogen bonds, as well as π-π interactions. © 2011 International Union of Crystallography.

Registro:

Documento: Artículo
Título:Bis[(dihydrogen pyrophosphatoκ-2 O,O′)(2,2′: 6′,2″-terpyridine-κ3 N,N′,N″)copper(II) ] 4.5-hydrate
Autor:Perec, M.; Baggio, R.
Filiación:INQUIMAE, Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, Buenos Aires, Argentina
Gerencia de Investigación y Aplicaciones, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina
Palabras clave:Apical positions; Complex molecules; Copper (ii); Copper complexes; Dihydrogen; Dinuclear units; Monomeric units; Phosphate group; Square pyramid; Terpyridines; Atoms; Chromophores; Complexation; Hydrates; Hydration; Hydrogen; Hydrogen bonds; Copper compounds; bis((dihydrogen pyrophosphato kappa(2)O,O')(2,2':6',2'' terpyridine kappa(3)N,N',N'')copper(II)) 4.5 hydrate; bis((dihydrogen pyrophosphato-kappa(2)O,O')(2,2':6',2''-terpyridine-kappa(3)N,N',N'')copper(II)) 4.5-hydrate; bis(dihydroxyethyldithiocarbamate)Cu (II) complex; copper; diethyldithiocarbamic acid; drug derivative; ion; organometallic compound; pyridine derivative; article; chemical structure; chemistry; dimerization; hydrogen bond; X ray crystallography; Copper; Crystallography, X-Ray; Dimerization; Ditiocarb; Hydrogen Bonding; Ions; Molecular Structure; Organometallic Compounds; Pyridines
Año:2011
Volumen:67
Número:5
Página de inicio:m140
Página de fin:m144
DOI: http://dx.doi.org/10.1107/S0108270111012121
Título revista:Acta Crystallographica Section C: Crystal Structure Communications
Título revista abreviado:Acta Crystallogr Sect C Cryst Struct Commun
ISSN:01082701
CODEN:ACSCE
CAS:copper, 15158-11-9, 7440-50-8; diethyldithiocarbamic acid, 147-84-2, 148-18-5, 3699-30-7, 392-74-5; Copper, 7440-50-8; Ditiocarb, 147-84-2; Ions; Organometallic Compounds; Pyridines; bis((dihydrogen pyrophosphato-kappa(2)O,O')(2,2':6',2''-terpyridine-kappa(3)N,N',N'')copper(II)) 4.5-hydrate; bis(dihydroxyethyldithiocarbamate)Cu (II) complex
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v67_n5_pm140_Perec

Referencias:

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Citas:

---------- APA ----------
Perec, M. & Baggio, R. (2011) . Bis[(dihydrogen pyrophosphatoκ-2 O,O′)(2,2′: 6′,2″-terpyridine-κ3 N,N′,N″)copper(II) ] 4.5-hydrate. Acta Crystallographica Section C: Crystal Structure Communications, 67(5), m140-m144.
http://dx.doi.org/10.1107/S0108270111012121
---------- CHICAGO ----------
Perec, M., Baggio, R. "Bis[(dihydrogen pyrophosphatoκ-2 O,O′)(2,2′: 6′,2″-terpyridine-κ3 N,N′,N″)copper(II) ] 4.5-hydrate" . Acta Crystallographica Section C: Crystal Structure Communications 67, no. 5 (2011) : m140-m144.
http://dx.doi.org/10.1107/S0108270111012121
---------- MLA ----------
Perec, M., Baggio, R. "Bis[(dihydrogen pyrophosphatoκ-2 O,O′)(2,2′: 6′,2″-terpyridine-κ3 N,N′,N″)copper(II) ] 4.5-hydrate" . Acta Crystallographica Section C: Crystal Structure Communications, vol. 67, no. 5, 2011, pp. m140-m144.
http://dx.doi.org/10.1107/S0108270111012121
---------- VANCOUVER ----------
Perec, M., Baggio, R. Bis[(dihydrogen pyrophosphatoκ-2 O,O′)(2,2′: 6′,2″-terpyridine-κ3 N,N′,N″)copper(II) ] 4.5-hydrate. Acta Crystallogr Sect C Cryst Struct Commun. 2011;67(5):m140-m144.
http://dx.doi.org/10.1107/S0108270111012121