Information card for entry 2211730

Structure parameters

• Chemical name: Piperazinium bis(dihydrogenarsenate)
• Formula: C4 H16 As2 N2 O8
• Calculated formula: C4 H16 As2 N2 O8
• SMILES: C1[NH2+]CC[NH2+]C1.O=[As]([O-])(O)O.O=[As]([O-])(O)O
• Title of publication: Piperazinium bis(dihydrogenarsenate)
• 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: 1
• Pages of publication: m26 - m28
• a: 5.8208 ± 0.0003 Å
• b: 8.9966 ± 0.0004 Å
• c: 11.0369 ± 0.0005 Å
• α: 90°
• β: 95.126 ± 0.001°
• γ: 90°
• Cell volume: 575.66 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes