Information card for entry 2206041

Structure parameters

• Chemical name: Creatininium dihydrogenarsenate
• Formula: C4 H10 As N3 O5
• Calculated formula: C4 H10 As N3 O5
• SMILES: [As](=O)([O-])(O)O.C1(NC(=O)CN1C)=[NH2+]
• Title of publication: Creatininium dihydrogenarsenate
• Authors of publication: Wilkinson, Hazel S.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1228 - m1230
• a: 7.3576 ± 0.0003 Å
• b: 10.4263 ± 0.0005 Å
• c: 11.9471 ± 0.0005 Å
• α: 90°
• β: 102.908 ± 0.001°
• γ: 90°
• Cell volume: 893.33 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes