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[μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ(6) N (6),N (1),N (2):N (3),N (4),N (5)]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate
The title compound [Ni(2)(C(6)H(6)O(6)P(2))(2)(C(24)H(16)N(6))(H(2)O)(4)]·2H(2)O or [Ni(2)(tpyprz)(1,3-HO(3)PC(6)H(4)PO(3)H)(2)(H(2)O)(4)]·2H(2)O [tpyprz = tetrakis(2-pyridyl)pyrazine, C(24)H(16)N(6)] is a binuclear complex with a crystallographic inversion center located at the center of the pyr...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009311/ https://www.ncbi.nlm.nih.gov/pubmed/21588851 http://dx.doi.org/10.1107/S1600536810041279 |
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author | DeBurgomaster, Paul Zubieta, Jon |
author_facet | DeBurgomaster, Paul Zubieta, Jon |
author_sort | DeBurgomaster, Paul |
collection | PubMed |
description | The title compound [Ni(2)(C(6)H(6)O(6)P(2))(2)(C(24)H(16)N(6))(H(2)O)(4)]·2H(2)O or [Ni(2)(tpyprz)(1,3-HO(3)PC(6)H(4)PO(3)H)(2)(H(2)O)(4)]·2H(2)O [tpyprz = tetrakis(2-pyridyl)pyrazine, C(24)H(16)N(6)] is a binuclear complex with a crystallographic inversion center located at the center of the pyrazine ring. The equivalent nickel(II) sites exhibit a distorted {NiO(3)N(3)} octahedral coordination, with the three nitrogen donors of each terminus of the tpyprz ligand in a meridional orientation. An aqua ligand occupies the position trans to the pyrazine nitrogen donor, while the second aqua ligand is trans to the oxygen donor of the dihydrogen-1,3-phenyldiphosphonate ligand. The Ni—O and Ni—N bond lengths fall in the range 2.011 (3) to 2.089 (3) Å. The protonation sites on the organophosphonate ligand are evident in the significantly longer P—O bonds compared to the unprotonated sites. In the crystal structure, the complex molecules and the solvent water molecules are linked into a three-dimensional hydrogen-bonded framework through O—H⋯O interactions between the aqua ligands, the protonated organophosphonate oxygen atoms and the water molecules of crystallization. Intramolecular π-stacking between the phenyl group of the phosphonate ligand and a pyridyl group of the tpyprz ligand, at a distance of 3.244 (5) Å between ring centroids, is also observed. |
format | Text |
id | pubmed-3009311 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30093112010-12-30 [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ(6) N (6),N (1),N (2):N (3),N (4),N (5)]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate DeBurgomaster, Paul Zubieta, Jon Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound [Ni(2)(C(6)H(6)O(6)P(2))(2)(C(24)H(16)N(6))(H(2)O)(4)]·2H(2)O or [Ni(2)(tpyprz)(1,3-HO(3)PC(6)H(4)PO(3)H)(2)(H(2)O)(4)]·2H(2)O [tpyprz = tetrakis(2-pyridyl)pyrazine, C(24)H(16)N(6)] is a binuclear complex with a crystallographic inversion center located at the center of the pyrazine ring. The equivalent nickel(II) sites exhibit a distorted {NiO(3)N(3)} octahedral coordination, with the three nitrogen donors of each terminus of the tpyprz ligand in a meridional orientation. An aqua ligand occupies the position trans to the pyrazine nitrogen donor, while the second aqua ligand is trans to the oxygen donor of the dihydrogen-1,3-phenyldiphosphonate ligand. The Ni—O and Ni—N bond lengths fall in the range 2.011 (3) to 2.089 (3) Å. The protonation sites on the organophosphonate ligand are evident in the significantly longer P—O bonds compared to the unprotonated sites. In the crystal structure, the complex molecules and the solvent water molecules are linked into a three-dimensional hydrogen-bonded framework through O—H⋯O interactions between the aqua ligands, the protonated organophosphonate oxygen atoms and the water molecules of crystallization. Intramolecular π-stacking between the phenyl group of the phosphonate ligand and a pyridyl group of the tpyprz ligand, at a distance of 3.244 (5) Å between ring centroids, is also observed. International Union of Crystallography 2010-10-23 /pmc/articles/PMC3009311/ /pubmed/21588851 http://dx.doi.org/10.1107/S1600536810041279 Text en © DeBurgomaster and Zubieta 2010 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 | Metal-Organic Papers DeBurgomaster, Paul Zubieta, Jon [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ(6) N (6),N (1),N (2):N (3),N (4),N (5)]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
title | [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ(6)
N
(6),N
(1),N
(2):N
(3),N
(4),N
(5)]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
title_full | [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ(6)
N
(6),N
(1),N
(2):N
(3),N
(4),N
(5)]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
title_fullStr | [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ(6)
N
(6),N
(1),N
(2):N
(3),N
(4),N
(5)]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
title_full_unstemmed | [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ(6)
N
(6),N
(1),N
(2):N
(3),N
(4),N
(5)]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
title_short | [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ(6)
N
(6),N
(1),N
(2):N
(3),N
(4),N
(5)]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
title_sort | [μ-2,3,5,6-tetrakis(2-pyridyl)pyrazine-κ(6)
n
(6),n
(1),n
(2):n
(3),n
(4),n
(5)]bis[diaqua(dihydrogen m-phenylenediphosphonato-κo)nickel(ii)] dihydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009311/ https://www.ncbi.nlm.nih.gov/pubmed/21588851 http://dx.doi.org/10.1107/S1600536810041279 |
work_keys_str_mv | AT deburgomasterpaul m2356tetrakis2pyridylpyrazinek6n6n1n2n3n4n5bisdiaquadihydrogenmphenylenediphosphonatokonickeliidihydrate AT zubietajon m2356tetrakis2pyridylpyrazinek6n6n1n2n3n4n5bisdiaquadihydrogenmphenylenediphosphonatokonickeliidihydrate |