Information card for entry 2206071

Structure parameters

• Chemical name: Melaminium formate
• Formula: C4 H8 N6 O2
• Calculated formula: C4 H8 N6 O2
• SMILES: [O-]C=O.[nH+]1c(nc(nc1N)N)N
• Title of publication: Melaminium formate
• Authors of publication: Genivaldo Julio Perpétuo; Marcos Antônio Ribeiro; Jan Janczak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1818 - o1820
• a: 3.957 ± 0.001 Å
• b: 15.798 ± 0.003 Å
• c: 11.461 ± 0.002 Å
• α: 90°
• β: 94.14 ± 0.01°
• γ: 90°
• Cell volume: 714.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes