Information card for entry 2226233

Structure parameters

• Common name: Melaminium perchlorate monohydrate
• Chemical name: 2,4,6-triamino-1,3,5-triazin-1-ium perchlorate monohydrate
• Formula: C3 H9 Cl N6 O5
• Calculated formula: C3 H9 Cl N6 O5
• SMILES: c1(N)[nH+]c(N)nc(N)n1.[O-]Cl(=O)(=O)=O.O
• Title of publication: Melaminium perchlorate 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: o1463
• a: 5.654 ± 0.004 Å
• b: 7.553 ± 0.007 Å
• c: 11.893 ± 0.01 Å
• α: 102.72 ± 0.04°
• β: 94.58 ± 0.03°
• γ: 110.78 ± 0.02°
• Cell volume: 456.2 ± 0.7 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: 0.0383
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes