Information card for entry 7131298

Structure parameters

• Formula: C48 H56 Cu8 N8 S12
• Calculated formula: C48 H56 Cu8 N8 S12
• 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: 10.1385 ± 0.0002 Å
• b: 19.145 ± 0.0005 Å
• c: 15.7602 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3059.08 ± 0.12 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No