Information card for entry 2005399

Structure parameters

• Chemical name: triammonium phosphoglycolate hydrate
• Formula: C2 H16 N3 O7 P
• Calculated formula: C2 H16 N3 O7 P
• SMILES: P(=O)(OCC(=O)[O-])([O-])[O-].O.[NH4+].[NH4+].[NH4+]
• Title of publication: Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K
• Authors of publication: Lis, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2326 - 2332
• a: 7.318 ± 0.004 Å
• b: 14.086 ± 0.005 Å
• c: 9.657 ± 0.004 Å
• α: 90°
• β: 93.37 ± 0.04°
• γ: 90°
• Cell volume: 993.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0773
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.0843
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No