Information card for entry 2017420

Structure parameters

• Common name: cytosinium perchlorate
• Chemical name: cytosinium perchlorate
• Formula: C4 H6 Cl N3 O5
• Calculated formula: C4 H6 Cl N3 O5
• SMILES: O=C1[NH+]=CC=C(N)N1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Influence of anion substitution on hydrogen-bonding patterns of salt compounds: cytosinium hydrogen sulfate and cytosinium perchlorate
• Authors of publication: Bensegueni, Med Abdellatif; Cherouana, Aouatef; Bendjeddou, Lamia; Lecomte, Claude; Dahaoui, Slimane
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o607 - o611
• a: 17.194 ± 0.002 Å
• b: 4.94 ± 0.001 Å
• c: 8.901 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 756 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes