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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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Autores principales: DeBurgomaster, Paul, Zubieta, Jon
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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
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