Information card for entry 2233698

Structure parameters

• Chemical name: Bis(dimethylammonium) 2,5-dihydroxybenzene-1,4-disulfonate
• Formula: C10 H20 N2 O8 S2
• Calculated formula: C10 H20 N2 O8 S2
• SMILES: c1(c(O)cc(c(c1)O)S(=O)(=O)[O-])S(=O)(=O)[O-].C[NH2+]C.C[NH2+]C
• Title of publication: Bis(dimethylammonium) 2,5-dihydroxybenzene-1,4-disulfonate
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o555
• a: 8.0136 ± 0.0012 Å
• b: 12.2741 ± 0.0019 Å
• c: 9.2061 ± 0.0016 Å
• α: 90°
• β: 115.268 ± 0.005°
• γ: 90°
• Cell volume: 818.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes