Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ2N1′,N1′′]bis[2-(pyridin-2-yl)phenyl-κ2N,C1]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate
| Autor: | Martyn K. Peers, Nigel S. Scrutton, Benjamin J. Coe, James Raftery |
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| Rok vydání: | 2015 |
| Předmět: |
Tris
Nitrile 010405 organic chemistry Chemistry Stereochemistry chemistry.chemical_element General Chemistry Crystal structure Dihedral angle 010402 general chemistry Condensed Matter Physics HEXA 01 natural sciences Medicinal chemistry 0104 chemical sciences Solvent chemistry.chemical_compound Deprotonation General Materials Science Iridium |
| Zdroj: | Acta Crystallographica Section E Crystallographic Communications. 71:879-882 |
| ISSN: | 2056-9890 |
| Popis: | In the title compound, [Ir(C11H8N)2(C28H20N8)](PF6)3·3CH3CN or [IrIII(ppy)2{(2-pym)2qpy2+}](PF6)3·3CH3CN (ppy = deprotonated 2-phenylpyridine, pym = pyrimidyl and qpy = 4,4′:2′,2′′:4′′,4′′′-quaterpyridyl), the Ir3+cation is coordinated by two C atoms and four N atoms in a slightly distorted octahedral geometry. The asymmetric unit consists of one complex trication, three hexafluoridophosphate anions and three acetonitrile solvent molecules. The average Ir—C distance is 2.011 (14) Å, the average Ir—N(ppy) distance is 2.05 (6) Å and the average Ir—N(qpy) distance is longer at 2.132 (10) Å. The dihedral angles within the 4,4′-bipyridyl units are 31.5 (6) and 23.8 (7)°, while those between the 2-pym and attached pyridyl rings are rather smaller, at 11.7 (9) and 7.1 (9)°. The title compound was refined as a two-component inversion twin. |
| Databáze: | OpenAIRE |
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