Information card for entry 4126963

Structure parameters

• Formula: C89 H171 Ag24 N16 O35 S10
• Calculated formula: C89 H171 Ag24 N16 O35 S10
• Title of publication: Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.
• Authors of publication: Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 20.56346 ± 0.00016 Å
• b: 16.62466 ± 0.00015 Å
• c: 20.64665 ± 0.00018 Å
• α: 90°
• β: 94.2166 ± 0.0008°
• γ: 90°
• Cell volume: 7039.17 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No