Information card for entry 1569669

Structure parameters

• Formula: C136 H128 Ag9 Au5 Cu2 O2 P4 S8
• Calculated formula: C136 H128 Ag9 Au5 Cu2 O2 P4 S8
• Title of publication: Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au₅Ag₁₁.
• Authors of publication: Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou
• Journal of publication: Nanoscale
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 33
• Pages of publication: 13784 - 13789
• a: 28.0881 ± 0.0003 Å
• b: 18.3857 ± 0.0002 Å
• c: 82.4807 ± 0.001 Å
• α: 90°
• β: 91.541 ± 0.001°
• γ: 90°
• Cell volume: 42579.2 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No