Information card for entry 2218481

Structure parameters

• Chemical name: Ammonium diphenylphosphinate monohydrate
• Formula: C12 H16 N O3 P
• Calculated formula: C12 H16 N O3 P
• SMILES: P(=O)([O-])(c1ccccc1)c1ccccc1.[NH4+].O
• Title of publication: Ammonium diphenylphosphinate monohydrate
• Authors of publication: Li, Dongyang; Chen, Juan; Guo, Jianping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1018
• a: 15.027 ± 0.002 Å
• b: 6.4594 ± 0.0009 Å
• c: 15.484 ± 0.002 Å
• α: 90°
• β: 117.394 ± 0.002°
• γ: 90°
• Cell volume: 1334.4 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes