Information card for entry 2238999

Structure parameters

• Chemical name: Diethylammonium dihydrogen orthophosphate
• Formula: C4 H14 N O4 P
• Calculated formula: C4 H14 N O4 P
• SMILES: P(=O)([O-])(O)O.CC[NH2+]CC
• Title of publication: Diethylammonium dihydrogen orthophosphate
• Authors of publication: Held, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o129
• a: 8.3643 ± 0.0006 Å
• b: 8.8308 ± 0.0015 Å
• c: 11.6446 ± 0.0012 Å
• α: 88.219 ± 0.01°
• β: 83.649 ± 0.007°
• γ: 79.7 ± 0.007°
• Cell volume: 841 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes