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Crystal structure of tetra­aqua­bis(3,5-di­amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis­[bis­(pyridine-2,6-di­carboxyl­ato)cobaltate(II)] dihydrate

The asymmetric unit of the title compound, [Co(C(2)H(6)N(5))(2)(H(2)O)(4)][Co(C(7)H(3)NO(4))(2)](2)·2H(2)O, features 1.5 Co(II) ions (one anionic complex and one half cationic complex) and one water mol­ecule. In the cationic complex, the Co(II) atom is located on an inversion centre and is coordina...

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Autores principales: Johnson, Atim, Mbonu, Justina, Hussain, Zahid, Loh, Wan-Sin, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459343/
https://www.ncbi.nlm.nih.gov/pubmed/26090171
http://dx.doi.org/10.1107/S2056989015010014
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author Johnson, Atim
Mbonu, Justina
Hussain, Zahid
Loh, Wan-Sin
Fun, Hoong-Kun
author_facet Johnson, Atim
Mbonu, Justina
Hussain, Zahid
Loh, Wan-Sin
Fun, Hoong-Kun
author_sort Johnson, Atim
collection PubMed
description The asymmetric unit of the title compound, [Co(C(2)H(6)N(5))(2)(H(2)O)(4)][Co(C(7)H(3)NO(4))(2)](2)·2H(2)O, features 1.5 Co(II) ions (one anionic complex and one half cationic complex) and one water mol­ecule. In the cationic complex, the Co(II) atom is located on an inversion centre and is coordinated by two triazolium cations and four water mol­ecules, adopting an octa­hedral geometry where the N atoms of the two triazolium cations occupy the axial positions and the O atoms of the four water mol­ecules the equatorial positions. The two triazole ligands are parallel offset (with a distance of 1.38 Å between their planes). In the anionic complex, the Co(II) ion is six-coordinated by two N and four O atoms of the two pyridine-2,6-di­carboxyl­ate anions, exhibiting a slightly distorted octa­hedral coordination geometry in which the mean plane of the two pyridine-2,6-di­carboxyl­ate anions are almost perpendicular to each other, making a dihedral angle of 85.87 (2)°. In the crystal, mol­ecules are linked into a three-dimensional network via C—H⋯O, C—H⋯N, O—H⋯O and N—H⋯O hydrogen bonds.
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spelling pubmed-44593432015-06-18 Crystal structure of tetra­aqua­bis(3,5-di­amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis­[bis­(pyridine-2,6-di­carboxyl­ato)cobaltate(II)] dihydrate Johnson, Atim Mbonu, Justina Hussain, Zahid Loh, Wan-Sin Fun, Hoong-Kun Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, [Co(C(2)H(6)N(5))(2)(H(2)O)(4)][Co(C(7)H(3)NO(4))(2)](2)·2H(2)O, features 1.5 Co(II) ions (one anionic complex and one half cationic complex) and one water mol­ecule. In the cationic complex, the Co(II) atom is located on an inversion centre and is coordinated by two triazolium cations and four water mol­ecules, adopting an octa­hedral geometry where the N atoms of the two triazolium cations occupy the axial positions and the O atoms of the four water mol­ecules the equatorial positions. The two triazole ligands are parallel offset (with a distance of 1.38 Å between their planes). In the anionic complex, the Co(II) ion is six-coordinated by two N and four O atoms of the two pyridine-2,6-di­carboxyl­ate anions, exhibiting a slightly distorted octa­hedral coordination geometry in which the mean plane of the two pyridine-2,6-di­carboxyl­ate anions are almost perpendicular to each other, making a dihedral angle of 85.87 (2)°. In the crystal, mol­ecules are linked into a three-dimensional network via C—H⋯O, C—H⋯N, O—H⋯O and N—H⋯O hydrogen bonds. International Union of Crystallography 2015-05-30 /pmc/articles/PMC4459343/ /pubmed/26090171 http://dx.doi.org/10.1107/S2056989015010014 Text en © Johnson et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Johnson, Atim
Mbonu, Justina
Hussain, Zahid
Loh, Wan-Sin
Fun, Hoong-Kun
Crystal structure of tetra­aqua­bis(3,5-di­amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis­[bis­(pyridine-2,6-di­carboxyl­ato)cobaltate(II)] dihydrate
title Crystal structure of tetra­aqua­bis(3,5-di­amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis­[bis­(pyridine-2,6-di­carboxyl­ato)cobaltate(II)] dihydrate
title_full Crystal structure of tetra­aqua­bis(3,5-di­amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis­[bis­(pyridine-2,6-di­carboxyl­ato)cobaltate(II)] dihydrate
title_fullStr Crystal structure of tetra­aqua­bis(3,5-di­amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis­[bis­(pyridine-2,6-di­carboxyl­ato)cobaltate(II)] dihydrate
title_full_unstemmed Crystal structure of tetra­aqua­bis(3,5-di­amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis­[bis­(pyridine-2,6-di­carboxyl­ato)cobaltate(II)] dihydrate
title_short Crystal structure of tetra­aqua­bis(3,5-di­amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis­[bis­(pyridine-2,6-di­carboxyl­ato)cobaltate(II)] dihydrate
title_sort crystal structure of tetra­aqua­bis(3,5-di­amino-4h-1,2,4-triazol-1-ium)cobalt(ii) bis­[bis­(pyridine-2,6-di­carboxyl­ato)cobaltate(ii)] dihydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459343/
https://www.ncbi.nlm.nih.gov/pubmed/26090171
http://dx.doi.org/10.1107/S2056989015010014
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