Information card for entry 2212652

Structure parameters

• Chemical name: Piperazinium hydrogenarsenate monohydrate
• Formula: C4 H15 As N2 O5
• Calculated formula: C4 H15 As N2 O5
• SMILES: C1C[NH2+]CC[NH2+]1.O=[As]([O-])([O-])O.O
• Title of publication: Piperazinium hydrogenarsenate monohydrate
• Authors of publication: Wilkinson, Hazel S.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m905 - m907
• a: 6.5093 ± 0.0002 Å
• b: 12.5329 ± 0.0003 Å
• c: 11.2873 ± 0.0003 Å
• α: 90°
• β: 97.0816 ± 0.0016°
• γ: 90°
• Cell volume: 913.8 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0231
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes