Information card for entry 2012218

Structure parameters

• Common name: melaminium chloride hemihydrate
• Chemical name: 2,4,6-triamino-1,3,5-triazine-1-ium chloride hemihydrate
• Formula: C3 H8 Cl N6 O0.5
• Calculated formula: C3 H8 Cl N6 O0.5
• SMILES: c1(N)nc(N)[nH+]c(n1)N.O.[Cl-]
• Title of publication: Melaminium chloride hemihydrate
• Authors of publication: Jan Janczak; Genivaldo Julio Perpétuo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1120 - 1122
• a: 12.441 ± 0.002 Å
• b: 17.667 ± 0.004 Å
• c: 7.137 ± 0.001 Å
• α: 90°
• β: 114.99 ± 0.03°
• γ: 90°
• Cell volume: 1421.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes