Information card for entry 2204311

Structure parameters

• Chemical name: Tetra-n-butylammonium hexafluorophosphate
• Formula: C16 H36 F6 N P
• Calculated formula: C16 H36 F6 N P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Tetra-<i>n</i>-butylammonium hexafluorophosphate
• Authors of publication: Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1680 - o1681
• a: 9.4057 ± 0.0019 Å
• b: 13.593 ± 0.002 Å
• c: 14.982 ± 0.003 Å
• α: 90°
• β: 91.367 ± 0.016°
• γ: 90°
• Cell volume: 1914.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1072
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes