Information card for entry 7223096

Structure parameters

• Formula: C7 H10 Cu2 O6 S
• Calculated formula: C7 H10 Cu2 O6 S
• Title of publication: Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates
• Authors of publication: Fujita, Wataru
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 47
• Pages of publication: 9193
• a: 15.493 ± 0.004 Å
• b: 6.449 ± 0.0014 Å
• c: 10.597 ± 0.003 Å
• α: 90°
• β: 97.476 ± 0.007°
• γ: 90°
• Cell volume: 1049.8 ± 0.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0523
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No