Information card for entry 8102300

Structure parameters

• Formula: C20 H20 N4 O6 S2
• Calculated formula: C20 H20 N4 O6 S2
• Title of publication: Crystal structure of bis-aminopyridinium 1,5-naphthalenedisulfonate, [(C5H7N2)2][C10H6O6S2]
• 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: 275
• a: 7.265 ± 0.002 Å
• b: 8.183 ± 0.004 Å
• c: 9.516 ± 0.003 Å
• α: 111.621 ± 0.012°
• β: 91.835 ± 0.013°
• γ: 96.957 ± 0.013°
• Cell volume: 520.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No