Information card for entry 2209205

Structure parameters

• Chemical name: Homopiperizinium bis(dihydrogenarsenate)
• Formula: C5 H18 As2 N2 O8
• Calculated formula: C5 H18 As2 N2 O8
• SMILES: [As]([O-])(=O)(O)O.[As]([O-])(=O)(O)O.C1C[NH2+]CCC[NH2+]1
• Title of publication: Homopiperazinium bis(dihydrogenarsenate)
• Authors of publication: Wilkinson, Hazel S.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1397 - m1399
• a: 8.1495 ± 0.0003 Å
• b: 11.7163 ± 0.0004 Å
• c: 13.573 ± 0.0005 Å
• α: 90°
• β: 90.234 ± 0.001°
• γ: 90°
• Cell volume: 1295.97 ± 0.08 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: 0.0338
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes