Information card for entry 2311863

Structure parameters

• Common name: magnesium <i>p</i>-arsanilate decahydrate
• Chemical name: Hexaaquamagnesium bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate
• Formula: C12 H34 As2 Mg N2 O16
• Calculated formula: C12 H34 As2 Mg N2 O16
• SMILES: c1(ccc(N)cc1)[As](=O)([O-])O.O.O.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O[As](=O)([O-])c1ccc(N)cc1
• Title of publication: The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 1
• Pages of publication: 61 - 67
• a: 15.1693 ± 0.0006 Å
• b: 6.7367 ± 0.0002 Å
• c: 12.9532 ± 0.0004 Å
• α: 90°
• β: 108.033 ± 0.004°
• γ: 90°
• Cell volume: 1258.68 ± 0.08 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No