Information card for entry 2205740

Structure parameters

• Formula: C12 H38 Cu O14 S8
• Calculated formula: C12 H38 Cu O14 S8
• SMILES: [O](=S(C)C)[Cu]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-]
• Title of publication: Hexakis(dimethyl sulfoxide)copper(II) bis(hydrogen sulfate)
• Authors of publication: Bieller, Susanne; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m928 - m929
• a: 8.2271 ± 0.0007 Å
• b: 9.4663 ± 0.0008 Å
• c: 9.5945 ± 0.0009 Å
• α: 97.559 ± 0.007°
• β: 90.415 ± 0.007°
• γ: 90.238 ± 0.007°
• Cell volume: 740.7 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes