Information card for entry 1547534

Structure parameters

• Chemical name: C6_FLuoAuAg
• Formula: C162 H198 Ag3 Au3
• Calculated formula: C162 H198 Ag3 Au3
• SMILES: [Au]1[C]2#[C](c3cc4c(cc3)c3ccccc3C4(CCCCCC)CCCCCC)[Ag]32[C](#[C]3c2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C]2#[C](c3cc4c(cc3)c3ccccc3C4(CCCCCC)CCCCCC)[Ag]32[C](#[C]3c2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C]2#[C](c3ccc4c(c3)C(CCCCCC)(c3c4cccc3)CCCCCC)[Ag]32[C]1#[C]3c1cc2c(cc1)c1ccccc1C2(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: 80.362 ± 0.003 Å
• b: 18.8467 ± 0.0008 Å
• c: 51.284 ± 0.002 Å
• α: 90°
• β: 128.299 ± 0.0014°
• γ: 90°
• Cell volume: 60956 ± 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: 0.1568
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No