Information card for entry 2005398

Structure parameters

• Chemical name: diammonium phosphoglycolate
• Formula: C2 H11 N2 O6 P
• Calculated formula: C2 H11 N2 O6 P
• SMILES: P(=O)(O)(OCC(=O)[O-])[O-].[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: 13.202 ± 0.005 Å
• b: 8.072 ± 0.003 Å
• c: 13.792 ± 0.005 Å
• α: 90°
• β: 91.12 ± 0.03°
• γ: 90°
• Cell volume: 1469.5 ± 0.9 ų
• Cell temperature: 150 ± 1 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: 0.0433
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.0814
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No