Information card for entry 2013794

Structure parameters

• Common name: melaminium maleate monohydrate
• Chemical name: 2,4,6-triamino-1,3,5-triazin-1-ium maleate monohydrate
• Formula: C7 H12 N6 O5
• Calculated formula: C7 H12 N6 O5
• SMILES: n1c([nH+]c(nc1N)N)N.OC(=O)/C=C\C(=O)[O-].O
• Title of publication: Melaminium maleate monohydrate
• Authors of publication: Janczak, Jan; Perpétuo, Genivaldo Julio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o211 - o214
• a: 3.672 ± 0.0007 Å
• b: 10.417 ± 0.002 Å
• c: 28.749 ± 0.006 Å
• α: 90°
• β: 90.89 ± 0.03°
• γ: 90°
• Cell volume: 1099.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes