Information card for entry 2239203

Structure parameters

• Common name: Dimethylammonium copper sulfate tetrahydrate
• Chemical name: Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)
• Formula: C2 H17 Cu N O12 S2
• Calculated formula: C2 H17 Cu N O12 S2
• SMILES: [Cu]([OH2])([OH2])([OH2])([OH2])(OS(O)(=O)=O)OS(=O)(=O)O.[NH2+](C)C
• Title of publication: Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)
• Authors of publication: Held, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: m119
• a: 7.1825 ± 0.0009 Å
• b: 17.9973 ± 0.0015 Å
• c: 19.41 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2509 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes