Information card for entry 2215439

Structure parameters

• Common name: <i>para</i>-bromophenylarsonic acid
• Chemical name: (4-Bromophenyl)arsonic acid
• Formula: C6 H6 As Br O3
• Calculated formula: C6 H6 As Br O3
• SMILES: Brc1ccc([As](=O)(O)O)cc1
• Title of publication: (4-Bromophenyl)arsonic acid
• Authors of publication: Betz, Richard; Klüfers, Peter; Walter, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2483 - m2483
• a: 9.6435 ± 0.0003 Å
• b: 9.1107 ± 0.0003 Å
• c: 10.2872 ± 0.0003 Å
• α: 90°
• β: 117.429 ± 0.002°
• γ: 90°
• Cell volume: 802.22 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0271
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes