Information card for entry 2201483

Structure parameters

• Common name: Guaninium dinitrate dihydrate
• Formula: C5 H11 N7 O9
• Calculated formula: C5 H11 N7 O9
• SMILES: O=N(=O)[O-].O.O.[nH+]1c2[NH+]=C(NC(=O)c2[nH]c1)N.N(=O)(=O)[O-]
• Title of publication: Guaninium dinitrate dihydrate
• Authors of publication: Bouchouit, Karim; Benali-Cherif, Nourredine; Benguedouar, Lamia; Bendheif, Leulmi; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1397 - o1399
• a: 6.634 ± 0.0004 Å
• b: 11.98 ± 0.0005 Å
• c: 15.804 ± 0.0003 Å
• α: 90°
• β: 91.01 ± 0.02°
• γ: 90°
• Cell volume: 1255.83 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes