Information card for entry 2225573

Structure parameters

• Chemical name: Bis(2-carboxyanilinium) sulfate monohydrate
• Formula: C14 H18 N2 O9 S
• Calculated formula: C14 H18 N2 O9 S
• Title of publication: Bis(2-carboxyanilinium) sulfate monohydrate
• Authors of publication: Akhtar, Taslim; Masih, Khawar; Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Iqbal, Shahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o819
• a: 11.26 ± 0.005 Å
• b: 10.542 ± 0.004 Å
• c: 15.358 ± 0.005 Å
• α: 90°
• β: 109.737 ± 0.005°
• γ: 90°
• Cell volume: 1715.9 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes