Information card for entry 2012768

Structure parameters

• Common name: melaminium glutarate monohydrate
• Chemical name: 2,4,6-triamino-1,3,5-triazine-1-ium glutarate monohydrate
• Formula: C8 H16 N6 O5
• Calculated formula: C8 H16 N6 O5
• SMILES: n1c(nc([nH+]c1N)N)N.O=C([O-])CCCC(=O)O.O
• Title of publication: Melaminium glutarate monohydrate
• Authors of publication: Janczak, Jan; Perpétuo, Genivaldo Julio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o339 - o341
• a: 4.539 ± 0.001 Å
• b: 28.544 ± 0.006 Å
• c: 9.863 ± 0.002 Å
• α: 90°
• β: 97.57 ± 0.03°
• γ: 90°
• Cell volume: 1266.7 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes