Information card for entry 8102703

Structure parameters

• Chemical name: 2(C~5~H~7~N~2~^+^).(C~14~H~8~O~4~S~2~^2-^).2(H~2~O)
• Formula: C24 H26 N4 O6 S2
• Calculated formula: C24 H26 N4 O6 S2
• Title of publication: Crystal structure of bis(2-aminopyridinium) 2,2'-dithiobis(benzoate) dihydrate, [C5H7N2]2[C14H8O4S2] · 2H2O
• Authors of publication: Geng-Xu Yang; Shi-Zhen Zhang; Zi-Liang Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 367
• a: 13.429 ± 0.0013 Å
• b: 9.7934 ± 0.0009 Å
• c: 20.331 ± 0.002 Å
• α: 90°
• β: 105.808 ± 0.002°
• γ: 90°
• Cell volume: 2572.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No