Information card for entry 4132482

Structure parameters

• Formula: C48 H108 Au14 Cd S12
• Calculated formula: C48 H108 Au14 Cd S12
• Title of publication: Total Structure Determination of Au₁₆(S-Adm)₁₂ and Cd₁Au₁₄(S tBu)₁₂ and Implications for the Structure of Au₁₅(SR)₁₃.
• Authors of publication: Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 35
• Pages of publication: 10988 - 10994
• a: 22.96 ± 0.004 Å
• b: 20.862 ± 0.003 Å
• c: 19.584 ± 0.003 Å
• α: 90°
• β: 97.508 ± 0.002°
• γ: 90°
• Cell volume: 9300 ± 3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No