Information card for entry 2219202

Structure parameters

• Chemical name: Ammonium benzenephosphonate
• Formula: C6 H10 N O3 P
• Calculated formula: C6 H10 N O3 P
• SMILES: P(=O)(O)([O-])c1ccccc1.[NH4+]
• Title of publication: Ammonium benzenephosphonate
• Authors of publication: Lin, Zhen; Lei, Xiu-Qing; Bai, Sheng-Di; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1607
• a: 31.122 ± 0.002 Å
• b: 7.1249 ± 0.0005 Å
• c: 7.9441 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1761.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes