Information card for entry 1557344

Structure parameters

• Common name: N(6)-Methyladeninium hemisulfate dihydrate
• Formula: C6 H12 N5 O4 S0.5
• Calculated formula: C6 N5 O4 S0.5
• Title of publication: Crystal Structures of N(6),N(6)-Dimethyladeninium Bisulfate and N(6)-Methyladeninium Hemisulfate Dihydrate
• Authors of publication: Dahl, Tor; Fossli, Dag; Rasmussen, Inge
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 24 - 28
• a: 22.201 ± 0.003 Å
• b: 14.937 ± 0.002 Å
• c: 6.49 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2152.2 ± 1.1 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No