Information card for entry 2016378

Structure parameters

• Chemical name: Bis(dihydronium) naphthalene-1,5-disulfonate
• Formula: C10 H16 O10 S2
• Calculated formula: C10 H16 O10 S2
• SMILES: c1c(c2cccc(c2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-].[OH3+].O.[OH3+].O
• Title of publication: Bis(dihydronium) naphthalene-1,5-disulfonate
• Authors of publication: Genivaldo Júlio Perpétuo; Jan Janczak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o21 - o23
• a: 9.1183 ± 0.0018 Å
• b: 7.1051 ± 0.0014 Å
• c: 22.954 ± 0.004 Å
• α: 90°
• β: 95.08 ± 0.01°
• γ: 90°
• Cell volume: 1481.3 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes