Information card for entry 2012393

Structure parameters

• Common name: melaminium sulfate dihydrate
• Chemical name: Bis(2,4,6-triamino-1,3,5-triazine-1-ium) sulfate dihydrate
• Formula: C6 H18 N12 O6 S
• Calculated formula: C6 H18 N12 O6 S
• SMILES: S(=O)(=O)([O-])[O-].O.O.[nH+]1c(nc(nc1N)N)N.[nH+]1c(nc(nc1N)N)N
• Title of publication: Bis(melaminium) sulfate dihydrate
• Authors of publication: Janczak, Jan; Perpétuo, Genivaldo Julio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1431 - 1433
• a: 6.446 ± 0.001 Å
• b: 10.457 ± 0.002 Å
• c: 12.363 ± 0.002 Å
• α: 104.28 ± 0.03°
• β: 92.16 ± 0.03°
• γ: 103.81 ± 0.03°
• Cell volume: 780.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1037
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes