Information card for entry 2201966

Structure parameters

• Common name: diprotonated adeninium diperchlorate hydrate
• Formula: C5 H9 Cl2 N5 O9
• Calculated formula: C5 H9 Cl2 N5 O9
• Title of publication: Diprotonated adeninium diperchlorate hydrate at 120K
• Authors of publication: Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Benali-Cherif, Nourredine; Lecomte, Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o649 - o651
• a: 7.7777 ± 0.0002 Å
• b: 8.5114 ± 0.0002 Å
• c: 11.0871 ± 0.0003 Å
• α: 88.703 ± 0.002°
• β: 70.074 ± 0.002°
• γ: 64.789 ± 0.002°
• Cell volume: 617.78 ± 0.03 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.053
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes