Information card for entry 7226738

Structure parameters

• Formula: C6 H20 Cu3 O16 S2
• Calculated formula: C6 H20 Cu3 O16 S2
• Title of publication: Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks
• Authors of publication: Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 44
• Pages of publication: 8614
• a: 5.6838 ± 0.0009 Å
• b: 11.4266 ± 0.0019 Å
• c: 13.585 ± 0.002 Å
• α: 90°
• β: 95.904 ± 0.004°
• γ: 90°
• Cell volume: 877.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No