Information card for entry 2011669

Structure parameters

• Chemical name: trans-4-[4-(Dimethylamino)phenyliminomethyl]-N-phenylpyridinium hexafluorophosphate
• Formula: C20 H20 F6 N3 P
• Calculated formula: C20 H20 F6 N3 P
• SMILES: [n+]1(c2ccccc2)ccc(cc1)/C=N/c1ccc(N(C)C)cc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: <i>trans</i>-4-[4-(Dimethylamino)phenyliminomethyl]-<i>N</i>-phenylpyridinium hexafluorophosphate
• Authors of publication: Coe, Benjamin J.; Harris, James A.; Gelbrich, Thomas; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1487 - 1489
• a: 19.3044 ± 0.0004 Å
• b: 10.6009 ± 0.0003 Å
• c: 11.6549 ± 0.0003 Å
• α: 90°
• β: 125.527 ± 0.002°
• γ: 90°
• Cell volume: 1941.1 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes