Information card for entry 2013603

Structure parameters

• Chemical name: 4-Piperidinylpyridinium hexafluorophosphate
• Formula: C10 H15 F6 N2 P
• Calculated formula: C10 H15 F6 N2 P
• SMILES: [nH+]1ccc(cc1)N1CCCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 4-(Piperidin-1-yl)pyridinium hexafluorophosphate at 150K
• Authors of publication: James, Bruce D.; Mutrofin, Siti; Skelton, Brian W.; White, Allan H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o622 - o624
• a: 12.814 ± 0.001 Å
• b: 10.4199 ± 0.0008 Å
• c: 20.072 ± 0.002 Å
• α: 90°
• β: 106.937 ± 0.001°
• γ: 90°
• Cell volume: 2563.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections: 0.982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes