Information card for entry 2225444

Structure parameters

• Common name: diammonium hydrogen phosphate
• Chemical name: diammonium hydrogen phosphate
• Formula: H9 N2 O4 P
• Calculated formula: H9 N2 O4 P
• SMILES: OP(=O)([O-])[O-].[NH4+].[NH4+]
• Title of publication: A new crystal modification of diammonium hydrogen phosphate, (NH~4~)~2~(HPO~4~)
• Authors of publication: Kunz, Peter C.; Wetzel, Corinna; Spingler, Bernhard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: i26 - i27
• a: 11.2868 ± 0.0003 Å
• b: 15.3466 ± 0.0004 Å
• c: 6.41894 ± 0.00019 Å
• α: 90°
• β: 90.795 ± 0.003°
• γ: 90°
• Cell volume: 1111.74 ± 0.05 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No