Information card for entry 2100621

Structure parameters

• Formula: C6 H31 N5 O15 P2
• Calculated formula: C6 H31 N5 O15 P2
• Title of publication: Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
• Authors of publication: Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: 919 - 925
• a: 7.851 ± 0.003 Å
• b: 21.976 ± 0.005 Å
• c: 5.666 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 977.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No