Information card for entry 4134368

Structure parameters

• Common name: 1,8-di(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate
• Chemical name: 1,8-di(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate
• Formula: C24 H23 F12 N3 P2
• Calculated formula: C24 H23 F12 N3 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[n+]1(ccc(cc1)c1cccc2cccc(c12)c1cc[n+](cc1)C)C.N#CC
• Title of publication: Electron Storage System Based on a Two-Way Inversion of Redox Potentials.
• Authors of publication: Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 27.9293 ± 0.0013 Å
• b: 10.4396 ± 0.0005 Å
• c: 18.2519 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5321.7 ± 0.4 ų
• Cell temperature: 113 ± 1 K
• Ambient diffraction temperature: 113 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.672
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No