[μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ6N6,N1,N2:N3,N4,N5]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate
The title compound [Ni2(C6H6O6P2)2(C24H16N6)(H2O)4]·2H2O or [Ni2(tpyprz)(1,3-HO3PC6H4PO3H)2(H2O)4]·2H2O [tpyprz = tetrakis(2-pyridyl)pyrazine, C24H16N6] is a binuclear complex with a crystallographic inversion center located at the center of the pyrazine ring. The equivalen...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2010-11-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810041279 |
| _version_ | 1818886963090948096 |
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| author | Paul DeBurgomaster Jon Zubieta |
| author_facet | Paul DeBurgomaster Jon Zubieta |
| author_sort | Paul DeBurgomaster |
| collection | DOAJ |
| description | The title compound [Ni2(C6H6O6P2)2(C24H16N6)(H2O)4]·2H2O or [Ni2(tpyprz)(1,3-HO3PC6H4PO3H)2(H2O)4]·2H2O [tpyprz = tetrakis(2-pyridyl)pyrazine, C24H16N6] 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 {NiO3N3} 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. |
| first_indexed | 2024-12-19T16:29:41Z |
| format | Article |
| id | doaj.art-17318d4488cf40a2bd711c7fa4a2d6d4 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-19T16:29:41Z |
| publishDate | 2010-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-17318d4488cf40a2bd711c7fa4a2d6d42022-12-21T20:14:15ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-11-016611m1424m142510.1107/S1600536810041279[μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ6N6,N1,N2:N3,N4,N5]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydratePaul DeBurgomasterJon ZubietaThe title compound [Ni2(C6H6O6P2)2(C24H16N6)(H2O)4]·2H2O or [Ni2(tpyprz)(1,3-HO3PC6H4PO3H)2(H2O)4]·2H2O [tpyprz = tetrakis(2-pyridyl)pyrazine, C24H16N6] 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 {NiO3N3} 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.http://scripts.iucr.org/cgi-bin/paper?S1600536810041279 |
| spellingShingle | Paul DeBurgomaster Jon Zubieta [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ6N6,N1,N2:N3,N4,N5]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate Acta Crystallographica Section E |
| title | [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ6N6,N1,N2:N3,N4,N5]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
| title_full | [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ6N6,N1,N2:N3,N4,N5]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
| title_fullStr | [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ6N6,N1,N2:N3,N4,N5]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
| title_full_unstemmed | [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ6N6,N1,N2:N3,N4,N5]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
| title_short | [μ-2,3,5,6-Tetrakis(2-pyridyl)pyrazine-κ6N6,N1,N2:N3,N4,N5]bis[diaqua(dihydrogen m-phenylenediphosphonato-κO)nickel(II)] dihydrate |
| title_sort | amp 956 2 3 5 6 tetrakis 2 pyridyl pyrazine amp 954 6n6 n1 n2 n3 n4 n5 bis diaqua dihydrogen m phenylenediphosphonato amp 954 o nickel ii dihydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810041279 |
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