Information card for entry 2006544

Structure parameters

• Formula: Cu4 H6 O10 S
• Calculated formula: Cu4 H6 O10 S
• SMILES: [Cu+2].[Cu+2].[Cu+2].[Cu+2].S(=O)(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
• Title of publication: Brochantite
• Authors of publication: Helliwell, Madeleine; Smith, Joseph V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1369 - 1371
• a: 13.087 ± 0.001 Å
• b: 9.835 ± 0.001 Å
• c: 6.015 ± 0.002 Å
• α: 90°
• β: 103.33 ± 0.01°
• γ: 90°
• Cell volume: 753.3 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0394
• Goodness-of-fit parameter for all reflections: 1.467
• Goodness-of-fit parameter for significantly intense reflections: 1.619
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No