Information card for entry 2226106

Structure parameters

• Common name: Melaminium iodide monohydrate
• Chemical name: 2,4,6-triamino-1,3,5-triazin-1-ium iodide monohydrate
• Formula: C3 H9 I N6 O
• Calculated formula: C3 H9 I N6 O
• SMILES: n1c([nH+]c(nc1N)N)N.O.[I-]
• Title of publication: Melaminium iodide monohydrate
• Authors of publication: Zhao, Min Min; Shi, Ping Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1415
• a: 6.0655 ± 0.0012 Å
• b: 7.037 ± 0.0014 Å
• c: 11.413 ± 0.002 Å
• α: 104.02 ± 0.03°
• β: 93.95 ± 0.03°
• γ: 109.08 ± 0.03°
• Cell volume: 440.8 ± 0.19 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: 0.0282
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes