Information card for entry 2007560

Structure parameters

• Chemical name: Tris(1,2-diammonium,2-methylpropan) cyclohexaphosphate trihydrate
• Formula: C12 H48 N6 O21 P6
• Calculated formula: C12 H43 N6 O21 P6
• Title of publication: Disorder in Tris(2-methyl-1,2-propanediammonium) <i>cyclo</i>-Hexaphosphate Trihydrate
• Authors of publication: Charfi, Miriem; Jouini, Amor; Pierrot, Marcel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: IUC9800041
• a: 11.761 ± 0.003 Å
• b: 12.102 ± 0.004 Å
• c: 13.371 ± 0.003 Å
• α: 89.28 ± 0.04°
• β: 74.76 ± 0.02°
• γ: 63.8 ± 0.04°
• Cell volume: 1635.7 ± 1 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: 0.0532
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.1363
• Weighted residual factors for significantly intense reflections: 0.1322
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No