Information card for entry 2205049

Structure parameters

• Common name: creatininium nitrate
• Formula: C4 H8 N4 O4
• Calculated formula: C4 H8 N4 O4
• Title of publication: Hydrogen bonding in creatininium nitrate
• Authors of publication: Fadila, Berrah; Hanane, Lamraoui; Nourredine, Benali-Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o210 - o212
• a: 16.6509 ± 0.0003 Å
• b: 9.7336 ± 0.0002 Å
• c: 8.9989 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1458.48 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No