Information card for entry 2206234

Structure parameters

• Chemical name: Propane-1,3-diaminium bis(dihydrogenarsenate)
• Formula: C3 H16 As2 N2 O8
• Calculated formula: C3 H16 As2 N2 O8
• SMILES: C(C[NH3+])C[NH3+].[O-][As](=O)(O)O.O[As](O)(=O)[O-]
• Title of publication: Propane-1,3-diaminium bis(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: 7
• Pages of publication: m1289 - m1291
• a: 15.5563 ± 0.0008 Å
• b: 4.6549 ± 0.0002 Å
• c: 15.0454 ± 0.0007 Å
• α: 90°
• β: 103.399 ± 0.001°
• γ: 90°
• Cell volume: 1059.83 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes