Information card for entry 7131299

Structure parameters

• Formula: C56 H62 Cu7 F6 N8 O8 S10
• Calculated formula: C56 H62 Cu7 F6 N8 O8 S10
• Title of publication: Assembly of copper-clusters into a framework: enhancing the structural stability and photocatalytic HER performance.
• Authors of publication: Xu, Yue; Dong, Qing-Guo; Dong, Jian-Peng; Zhang, Huan; Li, Bo; Wang, Rui; Zang, Shuang-Quan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 21
• Pages of publication: 3067 - 3070
• a: 9.6327 ± 0.0001 Å
• b: 19.2788 ± 0.0003 Å
• c: 18.8668 ± 0.0002 Å
• α: 90°
• β: 91.176 ± 0.001°
• γ: 90°
• Cell volume: 3502.96 ± 0.08 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No