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dc.contributor.author
Dennehy, Mariana
dc.contributor.author
Ferullo, Ricardo
dc.contributor.author
Freire Espeleta, Eleonora
dc.contributor.author
Baggio, Ricardo Fortunato
dc.date.available
2017-12-12T19:28:53Z
dc.date.issued
2014-03
dc.identifier.citation
Dennehy, Mariana; Ferullo, Ricardo; Freire Espeleta, Eleonora; Baggio, Ricardo Fortunato; An ethanol-solvated centrosymmetric dimer of bismuth(III) and thiosaccharinate resulting from `semicoordination' contacts; International Union of Crystallography; Acta Crystalographica Section C; C70; 3-2014; 627-631
dc.identifier.issn
2053-2296
dc.identifier.uri
http://hdl.handle.net/11336/30337
dc.description.abstract
In the title compound, bis([mu]-1,1-dioxo-1,2-benzothiazole-3-thiolato)-[Ҡ]3N,S:S;[Ҡ]3S:N,S-bis[(1,1-dioxo-1,2-benzothiazole-3-thiolato-[Ҡ]2N,S)(ethanol-[Ҡ]O)bismuth(III)] ethanol hemisolvate, [Bi2(C7H4NO2S2)6(C2H5OH)2]·0.5C2H5OH, three independent thio­saccharinate (tsac) anions chelate the metal centre through the endocyclic N and exocyclic S atoms. The complex also presnts two `semicoordination' contacts, one from a pendant ethanol solvent mol­ecule and a second one from an S atom of a centrosymmetrically related mol­ecule. This latter inter­action complements two [π]-[π] interactions between tsac rings to form a dimeric entity which is the elemental unit that builds up the crystal structure. These dinuclear units are connected to each other via a second type of [π]-[π] interaction, generating chains along [1{1}1]. Two ethanol mol­ecules, one of them of full occupancy at a general position and semicoordinated to the central cation, and a second one depleted and disordered around a symmetry centre, stabilize the structure. The complex was studied theoretically and the vibrational assignations were confirmed by employing theoretical density functional theory (DFT) methods.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
International Union of Crystallography
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Thiosaccharinate
dc.subject
Bi Complex
dc.subject
Semicoordianation
dc.subject
Dft
dc.subject.classification
Otras Ciencias Químicas
dc.subject.classification
Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
An ethanol-solvated centrosymmetric dimer of bismuth(III) and thiosaccharinate resulting from `semicoordination' contacts
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2017-12-12T18:43:29Z
dc.journal.number
C70
dc.journal.pagination
627-631
dc.journal.pais
Estados Unidos
dc.description.fil
Fil: Dennehy, Mariana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
dc.description.fil
Fil: Ferullo, Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
dc.description.fil
Fil: Freire Espeleta, Eleonora. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
dc.journal.title
Acta Crystalographica Section C
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1107/S2053229614010869
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S2053229614010869


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