Information card for entry 2242029

Structure parameters

• Common name: caesium <i>p</i>-arsanilate sesquihydrate
• Chemical name: Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dicaesium]
• Formula: C6 H10 As Cs N O4.5
• Calculated formula: C6 H10 As Cs N O4.5
• SMILES: [Cs+].O.c1(ccc(cc1)N)[As](=O)(O)[O-].O
• Title of publication: Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 203 - 208
• a: 24.65 ± 0.003 Å
• b: 10.4373 ± 0.0009 Å
• c: 8.3992 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2160.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes