Information card for entry 2224518

Structure parameters

• Chemical name: Tris(4-hydroxypyridinium) hydrogen sulfate‒sulfate monohydrate
• Formula: C15 H21 N3 O12 S2
• Calculated formula: C15 H21 N3 O12 S2
• Title of publication: Tris(4-hydroxypyridinium) hydrogen sulfate‒sulfate monohydrate
• Authors of publication: Xu, Ying-Ming; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3147
• a: 10.5622 ± 0.0003 Å
• b: 19.676 ± 0.0007 Å
• c: 20.298 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4218.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes