Information card for entry 2234861

Structure parameters

• Chemical name: Benzene-1,2-di(aminium) naphthalene-1,5-disulfonate methanol monosolvate trihydrate
• Formula: C17 H26 N2 O10 S2
• Calculated formula: C17 H26 N2 O10 S2
• Title of publication: Benzene-1,2-di(aminium) naphthalene-1,5-disulfonate methanol monosolvate trihydrate
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1574
• a: 8.1727 ± 0.0015 Å
• b: 13.681 ± 0.002 Å
• c: 9.5173 ± 0.0015 Å
• α: 90°
• β: 98.39 ± 0.005°
• γ: 90°
• Cell volume: 1052.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes