Information card for entry 2311864

Structure parameters

• Common name: calcium <i>p</i>-arsanilate tetrahydrate
• Chemical name: <i>catena</i>-Poly[[[diaquacalcium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']-[diaquacalcium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>]] dihydrate]
• Formula: C12 H22 As2 Ca N2 O10
• Calculated formula: C12 H22 As2 Ca N2 O10
• 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: 9.001 ± 0.005 Å
• b: 9.672 ± 0.005 Å
• c: 11.756 ± 0.005 Å
• α: 77.096 ± 0.005°
• β: 74.096 ± 0.005°
• γ: 82.236 ± 0.005°
• Cell volume: 956.4 ± 0.8 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No