Information card for entry 1547532

Structure parameters

• Chemical name: 4
• Formula: C328 H396 Ag4 Au8 Cl12 Cu4
• Calculated formula: C328 H396 Ag4 Au8 Cl12 Cu4
• SMILES: [Au]1[C]2#[C](c3cc(cc(c3)C(C)(C)C)C(C)(C)C)[Cu]342[Au]2[C](#Cc5cc(cc(c5)C(C)(C)C)C(C)(C)C)[Ag]56[Au]7[C](#Cc8cc(cc(c8)C(C)(C)C)C(C)(C)C)[Ag]8[C]9%10[Au]([Cu]%119([C]1#[C]%11c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[C]#%10c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[C](#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)[Ag]1[C]([Au][C]6#Cc6cc(cc(c6)C(C)(C)C)C(C)(C)C)([Ag]([C]32#[C]4c2cc(cc(c2)C(C)(C)C)C(C)(C)C)([C]7#Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)[C](#Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)[Au]2[Cu]346([Au]([C]7#[C](c9cc(cc(c9)C(C)(C)C)C(C)(C)C)[Cu]9%107[Au]([C]59#[C]%10c5cc(cc(c5)C(C)(C)C)C(C)(C)C)[C]8#Cc5cc(C(C)(C)C)cc(c5)C(C)(C)C)[C]4#[C]6c4cc(cc(c4)C(C)(C)C)C(C)(C)C)[C]12#[C]3c1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1.Clc1ccccc1
• 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: 20.2863 ± 0.0014 Å
• b: 25.3095 ± 0.0017 Å
• c: 30.667 ± 0.002 Å
• α: 88.693 ± 0.001°
• β: 83.335 ± 0.001°
• γ: 77.746 ± 0.001°
• Cell volume: 15282.8 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2441
• Weighted residual factors for all reflections included in the refinement: 0.2564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No