Information card for entry 4127022

Structure parameters

• Formula: C40 H88 Ag14 B60 N12 S12
• Calculated formula: C40 H88 Ag14 B60 N12 S12
• Title of publication: Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.
• Authors of publication: Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 22.3664 ± 0.0004 Å
• b: 19.6548 ± 0.0003 Å
• c: 19.5374 ± 0.0003 Å
• α: 90°
• β: 111.905 ± 0.002°
• γ: 90°
• Cell volume: 7968.7 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No