Information card for entry 2224635

Structure parameters

• Chemical name: Bis(2,4,6-triamino-1,3,5-triazin-1-ium) hydrogen phosphate trihydrate
• Formula: C6 H21 N12 O7 P
• Calculated formula: C6 H21 N12 O7 P
• Title of publication: Bis(2,4,6-triamino-1,3,5-triazin-1-ium) hydrogen phosphate trihydrate
• Authors of publication: Li, Xue-Mei; Feng, Si-Si; Wang, Fan; Ma, Qi; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o239 - o240
• a: 6.767 ± 0.004 Å
• b: 10.548 ± 0.007 Å
• c: 12.497 ± 0.008 Å
• α: 91.865 ± 0.011°
• β: 105.609 ± 0.01°
• γ: 108.02 ± 0.009°
• Cell volume: 810.4 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0853
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes