Information card for entry 2017782

Structure parameters

• Chemical name: aminomethylphosphonic acid
• Formula: C H6 N O3 P
• Calculated formula: C H6 N O3 P
• SMILES: P(=O)([O-])(O)C[NH3+]
• Title of publication: Charge density distribution in aminomethylphosphonic acid
• Authors of publication: Janicki, Rafał; Starynowicz, Przemysław
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: 559 - 567
• a: 8.977 ± 0.007 Å
• b: 9.186 ± 0.007 Å
• c: 10.003 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 824.9 ± 1.1 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No