Information card for entry 1547537

Structure parameters

• Chemical name: tBuAuAg51
• Formula: C72 H108 Ag1.8 Au10.2
• Calculated formula: C72 H108 Ag1.8068 Au10.1932
• Title of publication: Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system
• Authors of publication: Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 28.818 ± 0.003 Å
• b: 12.9632 ± 0.0013 Å
• c: 25.496 ± 0.003 Å
• α: 90°
• β: 117.086 ± 0.003°
• γ: 90°
• Cell volume: 8480 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0886
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No