Information card for entry 1547533

Structure parameters

• Chemical name: C6-FluoAuAgCu
• Formula: C324 H396 Ag2.88 Au6 Cu3.12
• Calculated formula: C324 H396 Ag2.8757 Au6 Cu3.1243
• SMILES: [Au]1[C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Ag][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)[Ag][C]1#Cc1ccc2c3c(cccc3)C(c2c1)(CCCCCC)CCCCCC.[Au]1[C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Cu][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Ag][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C](#Cc2ccc3c(c2)C(c2c3cccc2)(CCCCCC)CCCCCC)[Cu][C]1#Cc1cc2c(cc1)c1c(cccc1)C2(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: 80.2 ± 0.004 Å
• b: 18.8497 ± 0.001 Å
• c: 51.113 ± 0.003 Å
• α: 90°
• β: 128.112 ± 0.002°
• γ: 90°
• Cell volume: 60796 ± 6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.1145
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No