Information card for entry 2222808

Structure parameters

• Chemical name: 2-{5-[<i>N</i>-(2-Pyridyl)carbamoyl]pentanamido}pyridinium hexafluorophosphate
• Formula: C16 H19 F6 N4 O2 P
• Calculated formula: C16 H19 F6 N4 O2 P
• Title of publication: 2-{5-[<i>N</i>-(2-Pyridyl)carbamoyl]pentanamido}pyridinium hexafluorophosphate
• Authors of publication: Cheng, Pei-Chi; Wu, Chia-Jun; Chen, Huan-Ching; Chen, Jhy-Der; Wang, Ju-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1825
• a: 6.2119 ± 0.0018 Å
• b: 12.9265 ± 0.0011 Å
• c: 11.439 ± 0.002 Å
• α: 90°
• β: 96.415 ± 0.01°
• γ: 90°
• Cell volume: 912.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes