Information card for entry 4126971

Structure parameters

• Formula: C109 H154 Ag20 N4 O21 S10
• Calculated formula: C109 H154 Ag20 N4 O21 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: 13.3254 ± 0.0002 Å
• b: 17.0097 ± 0.0003 Å
• c: 17.0989 ± 0.0003 Å
• α: 68.069 ± 0.002°
• β: 76.262 ± 0.002°
• γ: 76.778 ± 0.002°
• Cell volume: 3449.91 ± 0.11 ų
• Cell temperature: 220 ± 0.1 K
• Ambient diffraction temperature: 220 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No