Information card for entry 2237253

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,2,4,6-Pentamethylanilinium hexafluorophosphate
• Formula: C11 H18 F6 N P
• Calculated formula: C11 H18 F6 N P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[NH+](c1c(cc(cc1C)C)C)(C)C
• Title of publication: <i>N</i>,<i>N</i>,2,4,6-Pentamethylanilinium hexafluorophosphate
• Authors of publication: Zhang, Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o31
• a: 11.466 ± 0.002 Å
• b: 8.2439 ± 0.0016 Å
• c: 15.559 ± 0.003 Å
• α: 90°
• β: 97.82 ± 0.03°
• γ: 90°
• Cell volume: 1457 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes