Information card for entry 2202350

Structure parameters

• Formula: C3 H15 As N2 O5
• Calculated formula: C3 H15 As N2 O5
• SMILES: [As](=O)(O)([O-])[O-].[NH3+]CC([NH3+])C.O
• Title of publication: Propane-1,2-diammonium hydrogenarsenate monohydrate
• Authors of publication: Lee, Clare; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m739 - m741
• a: 10.9115 ± 0.0005 Å
• b: 6.153 ± 0.0003 Å
• c: 13.3653 ± 0.0006 Å
• α: 90°
• β: 92.315 ± 0.001°
• γ: 90°
• Cell volume: 896.59 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes