Information card for entry 1547535

Structure parameters

• Chemical name: C6_FLuoAuCu
• Formula: C162 H198 Au3 Cu3
• Calculated formula: C162 H198 Au3 Cu3
• SMILES: [Au]1[C](#Cc2cc3c(cc2)c2c(cccc2)C3(CCCCCC)CCCCCC)[Cu][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Cu][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Cu][C]1#Cc1ccc2c3c(cccc3)C(c2c1)(CCCCCC)CCCCCC
• 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: 79.645 ± 0.003 Å
• b: 18.8256 ± 0.0008 Å
• c: 50.821 ± 0.002 Å
• α: 90°
• β: 127.383 ± 0.002°
• γ: 90°
• Cell volume: 60548 ± 4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.1252
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No