Information card for entry 4120008

Structure parameters

• Formula: C65 H58 Au13 Cl10.5 Cu8 N12 O3 S12
• Calculated formula: C65 H58 Au13 Cl10.5 Cu8 N12 O3 S12
• Title of publication: Ligand-Stabilized Au13Cux (x= 2, 4, 8) Bimetallic Nanoclusters: Ligand Engineering to Control the Exposure of Metal Sites
• Authors of publication: Huayan Yang; Yu Wang; Jing Lei; Lei Shi; Xiaohu Wu; Ville Mäkinen; Shuichao Lin; Zichao Tang; Jian He; Hannu Häkkinen; Lansun Zheng; Nanfeng Zheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9568 - 9571
• a: 15.462 ± 0.003 Å
• b: 16.278 ± 0.003 Å
• c: 21.093 ± 0.004 Å
• α: 94.71 ± 0.03°
• β: 104.64 ± 0.03°
• γ: 90.33 ± 0.03°
• Cell volume: 5117.3 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No