Information card for entry 2221539

Structure parameters

• Chemical name: 4-Ammonio-2,2,6,6-tetramethylpiperidinium bis(dihydrogen phosphate) monohydrate
• Formula: C9 H28 N2 O9 P2
• Calculated formula: C9 H28 N2 O9 P2
• SMILES: P(=O)([O-])(O)O.P(=O)(O)(O)[O-].O.[NH2+]1C(CC([NH3+])CC1(C)C)(C)C
• Title of publication: 4-Ammonio-2,2,6,6-tetramethylpiperidinium bis(dihydrogen phosphate) monohydrate
• Authors of publication: Mrad, Mohamed Lahbib; Akriche, Sameh; Rzaigui, Mohamed; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o757 - o758
• a: 12.604 ± 0.005 Å
• b: 8.249 ± 0.002 Å
• c: 16.321 ± 0.002 Å
• α: 90°
• β: 104.56 ± 0.04°
• γ: 90°
• Cell volume: 1642.4 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0943
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes