Information card for entry 2221047

Structure parameters

• Common name: creatininium perchlorate
• Chemical name: creatininium perchlorate
• Formula: C4 H8 Cl N3 O5
• Calculated formula: C4 H8 Cl N3 O5
• SMILES: O=C1[NH+]=C(N)N(C)C1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Creatinium perchlorate
• Authors of publication: Messai, Amel; Direm, Amani; Benali-Cherif, Nourredine; Luneau, Dominique; Jeanneau, Erwann
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o460
• a: 5.8023 ± 0.0003 Å
• b: 20.7782 ± 0.0013 Å
• c: 7.325 ± 0.0004 Å
• α: 90°
• β: 107.947 ± 0.004°
• γ: 90°
• Cell volume: 840.14 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes