Information card for entry 2019608

Structure parameters

• Common name: sodium <i>p</i>-arsanilate trihydrate
• Chemical name: <i>catena</i>-poly[[(4-aminophenylarsonato-κ<i>O</i>)diaquasodium]-μ-aqua]
• Formula: C6 H13 As N Na O6
• Calculated formula: C6 H13 As N Na O6
• SMILES: [As](=O)([O-])(O)c1ccc(N)cc1.[Na+].O.O.O
• Title of publication: The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• a: 10.4069 ± 0.0013 Å
• b: 13.641 ± 0.0017 Å
• c: 7.7494 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1100.1 ± 0.2 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes