Information card for entry 7223094

Structure parameters

• Formula: C12 H22 Cu4 O14 S
• Calculated formula: C12 H22 Cu4 O14 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: 8.1058 ± 0.0006 Å
• b: 8.5966 ± 0.0007 Å
• c: 15.1429 ± 0.0012 Å
• α: 90.034 ± 0.004°
• β: 95.059 ± 0.005°
• γ: 99.868 ± 0.005°
• Cell volume: 1035.4 ± 0.14 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0577
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No