Information card for entry 2238763

Structure parameters

• Chemical name: (Dimethylphosphoryl)methanaminium nitrate
• Formula: C3 H11 N2 O4 P
• Calculated formula: C3 H11 N2 O4 P
• SMILES: P(=O)(C)(C)C[NH3+].O=N(=O)[O-]
• Title of publication: (Dimethylphosphoryl)methanaminium nitrate
• Authors of publication: Bianga, Claudia M.; Eggeling, Julia; Reiss, Guido J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1639 - o1640
• a: 8.7718 ± 0.0003 Å
• b: 7.9892 ± 0.0003 Å
• c: 11.2921 ± 0.0006 Å
• α: 90°
• β: 96.581 ± 0.004°
• γ: 90°
• Cell volume: 786.13 ± 0.06 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No