Information card for entry 1576128

Structure parameters

• Formula: C207 H222 Cu20 P3 S19
• Calculated formula: C207 H222 Cu19.9999 P3 S19
• Title of publication: Surface defects in atom-precise copper nanoclusters and their different catalytic efficiencies.
• Authors of publication: Ge, Xin; Chen, Ruihang; Deng, Hongwen; Fang, Lei; Pan, Kunyi; Shan, Bochen; Gu, Bangde; Sun, Xin; Zheng, Yun; Teo, Boon K.; Sun, Cunfa
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 44
• Pages of publication: 25490 - 25494
• a: 33.2347 ± 0.0003 Å
• b: 33.2347 ± 0.0003 Å
• c: 17.02607 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16286.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2606
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No