Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate

Autores
Harvey, Miguel Angel; Suarez, Sebastian; Doctorovich, Fabio; Baggio, Ricardo Fortunato
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The asymmetric unit of the title complex, [Ni(C12H8N2)3]- S2O82C3H7NOH2O, consists of a complex [Ni(phen)3]2+ cation and one isolated pds anion, with two DMF molecules and one water molecule as solvates (where phen is 1,10- phenanthroline, pds is the hexaoxido--peroxoido-disulfate dianion and DMF is dimethylformamide). The [Ni(phen)3]2+ cation is regular, with an almost ideal NiII bond-valence sum of 2.07 v.u. The group, as well as the water solvent molecule, are well behaved in terms of crystallographic order, but the remaining three molecules in the structure display different kinds of disorder, viz. the two DMF molecules mimic a twofold splitting and the pds anion has both S atoms clamped at well-determined positions but with a not-too-well-defined central part. These peculiar behaviours are a consequence of the hydrogen-bonding interactions: the outermost SO3 parts of the pds anion are heavily connected to the complex cations via C?H O hydrogen bonding, generating an [Ni(phen)3]pds network and providing for the stability of the terminal pds sites. Also, the water solvent molecule is strongly bound to the structure (being a donor of two strong bonds and an acceptor of one) and is accordingly perfectly ordered. The peroxide O atoms in the pds middle region, instead, appear as much less restrained into their sites, which may explain their tendency to disorder. The cation?anion network leaves large embedded holes, amounting to about 28% of the total crystal volume, which are occupied by the DMF molecules. The latter are weakly interacting with the rest of the structure, which renders them much more labile and, accordingly, prone to disorder.
Fil: Harvey, Miguel Angel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Nacional Patagónico; Argentina. Universidad Nacional de la Patagonia "San Juan Bosco". Facultad de Ciencias Naturales - Sede Trelew; Argentina
Fil: Suarez, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Doctorovich, Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
Materia
Ni(C12h8n2)3]S2o8·2c3h7no·H2o
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/2744
Acceder
id CONICETDig_3978beb04676d15fe0a748d2a8f93625
oai_identifier_str oai:ri.conicet.gov.ar:11336/2744
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrateHarvey, Miguel AngelSuarez, SebastianDoctorovich, FabioBaggio, Ricardo FortunatoNi(C12h8n2)3]S2o8·2c3h7no·H2ohttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The asymmetric unit of the title complex, [Ni(C12H8N2)3]- S2O82C3H7NOH2O, consists of a complex [Ni(phen)3]2+ cation and one isolated pds anion, with two DMF molecules and one water molecule as solvates (where phen is 1,10- phenanthroline, pds is the hexaoxido--peroxoido-disulfate dianion and DMF is dimethylformamide). The [Ni(phen)3]2+ cation is regular, with an almost ideal NiII bond-valence sum of 2.07 v.u. The group, as well as the water solvent molecule, are well behaved in terms of crystallographic order, but the remaining three molecules in the structure display different kinds of disorder, viz. the two DMF molecules mimic a twofold splitting and the pds anion has both S atoms clamped at well-determined positions but with a not-too-well-defined central part. These peculiar behaviours are a consequence of the hydrogen-bonding interactions: the outermost SO3 parts of the pds anion are heavily connected to the complex cations via C?H O hydrogen bonding, generating an [Ni(phen)3]pds network and providing for the stability of the terminal pds sites. Also, the water solvent molecule is strongly bound to the structure (being a donor of two strong bonds and an acceptor of one) and is accordingly perfectly ordered. The peroxide O atoms in the pds middle region, instead, appear as much less restrained into their sites, which may explain their tendency to disorder. The cation?anion network leaves large embedded holes, amounting to about 28% of the total crystal volume, which are occupied by the DMF molecules. The latter are weakly interacting with the rest of the structure, which renders them much more labile and, accordingly, prone to disorder.Fil: Harvey, Miguel Angel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Nacional Patagónico; Argentina. Universidad Nacional de la Patagonia "San Juan Bosco". Facultad de Ciencias Naturales - Sede Trelew; ArgentinaFil: Suarez, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Doctorovich, Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; ArgentinaWiley Blackwell Publishing, Inc2013-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/2744Harvey, Miguel Angel; Suarez, Sebastian; Doctorovich, Fabio; Baggio, Ricardo Fortunato; Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section E; 69; 1; 1-2013; 1-161600-5368enginfo:eu-repo/semantics/altIdentifier/doi/doi:10.1107/S1600536812050775info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S1600536812050775info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:47:49Zoai:ri.conicet.gov.ar:11336/2744instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 11:47:49.848CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate
title Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate
spellingShingle Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate
Harvey, Miguel Angel
Ni(C12h8n2)3]S2o8·2c3h7no·H2o
title_short Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate
title_full Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate
title_fullStr Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate
title_full_unstemmed Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate
title_sort Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate
dc.creator.none.fl_str_mv Harvey, Miguel Angel
Suarez, Sebastian
Doctorovich, Fabio
Baggio, Ricardo Fortunato
author Harvey, Miguel Angel
author_facet Harvey, Miguel Angel
Suarez, Sebastian
Doctorovich, Fabio
Baggio, Ricardo Fortunato
author_role author
author2 Suarez, Sebastian
Doctorovich, Fabio
Baggio, Ricardo Fortunato
author2_role author
author
author
dc.subject.none.fl_str_mv Ni(C12h8n2)3]S2o8·2c3h7no·H2o
topic Ni(C12h8n2)3]S2o8·2c3h7no·H2o
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The asymmetric unit of the title complex, [Ni(C12H8N2)3]- S2O82C3H7NOH2O, consists of a complex [Ni(phen)3]2+ cation and one isolated pds anion, with two DMF molecules and one water molecule as solvates (where phen is 1,10- phenanthroline, pds is the hexaoxido--peroxoido-disulfate dianion and DMF is dimethylformamide). The [Ni(phen)3]2+ cation is regular, with an almost ideal NiII bond-valence sum of 2.07 v.u. The group, as well as the water solvent molecule, are well behaved in terms of crystallographic order, but the remaining three molecules in the structure display different kinds of disorder, viz. the two DMF molecules mimic a twofold splitting and the pds anion has both S atoms clamped at well-determined positions but with a not-too-well-defined central part. These peculiar behaviours are a consequence of the hydrogen-bonding interactions: the outermost SO3 parts of the pds anion are heavily connected to the complex cations via C?H O hydrogen bonding, generating an [Ni(phen)3]pds network and providing for the stability of the terminal pds sites. Also, the water solvent molecule is strongly bound to the structure (being a donor of two strong bonds and an acceptor of one) and is accordingly perfectly ordered. The peroxide O atoms in the pds middle region, instead, appear as much less restrained into their sites, which may explain their tendency to disorder. The cation?anion network leaves large embedded holes, amounting to about 28% of the total crystal volume, which are occupied by the DMF molecules. The latter are weakly interacting with the rest of the structure, which renders them much more labile and, accordingly, prone to disorder.
Fil: Harvey, Miguel Angel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Nacional Patagónico; Argentina. Universidad Nacional de la Patagonia "San Juan Bosco". Facultad de Ciencias Naturales - Sede Trelew; Argentina
Fil: Suarez, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Doctorovich, Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
description The asymmetric unit of the title complex, [Ni(C12H8N2)3]- S2O82C3H7NOH2O, consists of a complex [Ni(phen)3]2+ cation and one isolated pds anion, with two DMF molecules and one water molecule as solvates (where phen is 1,10- phenanthroline, pds is the hexaoxido--peroxoido-disulfate dianion and DMF is dimethylformamide). The [Ni(phen)3]2+ cation is regular, with an almost ideal NiII bond-valence sum of 2.07 v.u. The group, as well as the water solvent molecule, are well behaved in terms of crystallographic order, but the remaining three molecules in the structure display different kinds of disorder, viz. the two DMF molecules mimic a twofold splitting and the pds anion has both S atoms clamped at well-determined positions but with a not-too-well-defined central part. These peculiar behaviours are a consequence of the hydrogen-bonding interactions: the outermost SO3 parts of the pds anion are heavily connected to the complex cations via C?H O hydrogen bonding, generating an [Ni(phen)3]pds network and providing for the stability of the terminal pds sites. Also, the water solvent molecule is strongly bound to the structure (being a donor of two strong bonds and an acceptor of one) and is accordingly perfectly ordered. The peroxide O atoms in the pds middle region, instead, appear as much less restrained into their sites, which may explain their tendency to disorder. The cation?anion network leaves large embedded holes, amounting to about 28% of the total crystal volume, which are occupied by the DMF molecules. The latter are weakly interacting with the rest of the structure, which renders them much more labile and, accordingly, prone to disorder.
publishDate 2013
dc.date.none.fl_str_mv 2013-01
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/2744
Harvey, Miguel Angel; Suarez, Sebastian; Doctorovich, Fabio; Baggio, Ricardo Fortunato; Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section E; 69; 1; 1-2013; 1-16
1600-5368
url http://hdl.handle.net/11336/2744
identifier_str_mv Harvey, Miguel Angel; Suarez, Sebastian; Doctorovich, Fabio; Baggio, Ricardo Fortunato; Tris(1,10-phenathroline-k2N,N')-nickel(ii) hexaoxido-μ-peroxido-disulfate(vi) N,N-dimethylformamide disolvate monohydrate; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section E; 69; 1; 1-2013; 1-16
1600-5368
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/doi:10.1107/S1600536812050775
info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S1600536812050775
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1846782183711178752
score 12.982451

Publicaciones similares