Information card for entry 8102302

Structure parameters

• Formula: C20 H24 N4 O8 S2
• Calculated formula: C20 H24 N4 O8 S2
• Title of publication: Crystal structure of bis(3-aminopyridinium)1,5-naphthalene-disulfonate dihydrate, [(C5H7N2)2][C10H6O6S2] · 2H2O
• Authors of publication: Zi-Liang Wang; Lin-Heng Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 281
• a: 12.2909 ± 0.0004 Å
• b: 12.6265 ± 0.0004 Å
• c: 14.6083 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2267.08 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No