Information card for entry 2229103

Structure parameters

• Common name: Adeninium perchlorate
• Chemical name: 6-amino-9<i>H</i>-purin-1-ium perchlorate
• Formula: C5 H6 Cl N5 O4
• Calculated formula: C5 H6 Cl N5 O4
• Title of publication: Adeninium perchlorate
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Maity, Annada C.; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o427
• a: 8.7614 ± 0.0002 Å
• b: 4.8234 ± 0.0001 Å
• c: 21.0758 ± 0.0004 Å
• α: 90°
• β: 112.07 ± 0.001°
• γ: 90°
• Cell volume: 825.4 ± 0.03 ų
• Cell temperature: 105 ± 0.1 K
• Ambient diffraction temperature: 105 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes