Information card for entry 1547531

Structure parameters

• Chemical name: 2
• Formula: C262 H348 Ag8 Cl12 Cu8
• Calculated formula: C262 H348 Ag8 Cl12 Cu8
• SMILES: [Ag]12345[Cu]([C](#Cc6cc(cc(c6)C(C)(C)C)C(C)(C)C)[Ag]678[Cu]9[C]7([Ag]7[C]%10%11([Ag]%12([C]9#Cc9cc(cc(c9)C(C)(C)C)C(C)(C)C)[C]98([Ag]8%13[C]4([Cu]1[C](#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)[Ag]1[C]([Ag]4%14%10[Cu]%10%11([Ag]%11%15([Cu]([C]4#[C]%14c4cc(cc(c4)C(C)(C)C)C(C)(C)C)[C]%11#Cc4cc(cc(c4)C(C)(C)C)C(C)(C)C)([Cu]([C]%12%15#Cc4cc(cc(c4)C(C)(C)C)C(C)(C)C)[C]%13#Cc4cc(cc(c4)C(C)(C)C)C(C)(C)C)[C]8%10#Cc4cc(cc(c4)C(C)(C)C)C(C)(C)C)[Cu]269[C]51#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)([Cu][C]7#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)[C]3#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl
• 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: 20.1746 ± 0.0012 Å
• b: 20.4429 ± 0.0012 Å
• c: 34.225 ± 0.002 Å
• α: 87.8191 ± 0.0017°
• β: 73.8816 ± 0.0016°
• γ: 72.2845 ± 0.0016°
• Cell volume: 12900.8 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No