Information card for entry 2217427

Structure parameters

• Chemical name: Melaminium sulfate
• Formula: C3 H8 N6 O4 S
• Calculated formula: C3 H8 N6 O4 S
• SMILES: S(=O)(=O)([O-])[O-].c1([nH+]c(nc(N)[nH+]1)N)N
• Title of publication: Melaminium sulfate
• Authors of publication: Zhu, Bao-Yong; Cui, De-Liang; Jing, Hai-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o351 - o351
• a: 18.5787 ± 0.0003 Å
• b: 8.6272 ± 0.0002 Å
• c: 12.7945 ± 0.0004 Å
• α: 90°
• β: 129.739 ± 0.001°
• γ: 90°
• Cell volume: 1576.94 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes