Information card for entry 2011381

Structure parameters

• Chemical name: Anilinium hydrogenphosphite
• Formula: C6 H10 N O3 P
• Calculated formula: C6 H10 N O3 P
• SMILES: P(=O)([O-])O.c1(ccccc1)[NH3+]
• Title of publication: Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate
• Authors of publication: Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1132 - 1135
• a: 6.216 ± 0.002 Å
• b: 14.219 ± 0.006 Å
• c: 9.342 ± 0.003 Å
• α: 90°
• β: 90.91 ± 0.03°
• γ: 90°
• Cell volume: 825.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes