Information card for entry 2205246

Structure parameters

• Chemical name: 2,6-Diammonio-4-toluenesulfonate chloride dihydrate
• Formula: C7 H15 Cl N2 O5 S
• Calculated formula: C7 H15 Cl N2 O5 S
• Title of publication: 2,6-Diammonio-4-toluenesulfonate chloride dihydrate
• Authors of publication: Gao, Shan; Huo, Li-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o612 - o613
• a: 9.196 ± 0.002 Å
• b: 9.407 ± 0.002 Å
• c: 13.322 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1152.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes