Information card for entry 2100306

Structure parameters

• Common name: m-carboxyphenyl ammonium monohydrogenphosphite
• Formula: C7 H10 N O5 P
• Calculated formula: C7 H10 N O5 P
• SMILES: [PH](=O)([O-])O.[NH3+]c1cc(C(=O)O)ccc1
• Title of publication: Isostructural phase transition in <i>m</i>-carboxyphenylammonium monohydrogenphosphite
• Authors of publication: Bendeif, El-eulmi; Dahaoui, Slimane; François, Michel; Benali-Cherif, Nourredine; Lecomte, Claude
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: 700 - 709
• a: 12.1405 ± 0.0007 Å
• b: 12.4273 ± 0.0009 Å
• c: 6.3851 ± 0.0004 Å
• α: 90°
• β: 100.122 ± 0.005°
• γ: 90°
• Cell volume: 948.35 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0354
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No