Information card for entry 2209655

Structure parameters

• Chemical name: Bis(2-aminopyridinium) sulfate
• Formula: C10 H14 N4 O4 S
• Calculated formula: C10 H14 N4 O4 S
• SMILES: c1(cccc[nH+]1)N.O=S(=O)([O-])[O-].c1(cccc[nH+]1)N
• Title of publication: Bis(2-aminopyridinium) sulfate
• Authors of publication: Samuel Robinson Jebas.; Thailampillai Balasubramanian; Rene Peschar; Jan Fraanje
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2606 - o2607
• a: 12.873 ± 0.007 Å
• b: 16.835 ± 0.008 Å
• c: 12.035 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2608 ± 3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes