Information card for entry 7228352

Structure parameters

• Formula: C96 H120 Au2 Cu6 P2 S6
• Calculated formula: C96 H120 Au2 Cu6 P2 S6
• SMILES: C12(CC3CC(CC(C2)C3)C1)[S]1[Cu]2345[Au]678([P](c9ccccc9)(c9ccccc9)c9ccccc9)[Cu]9%10%11[S](C%12%13CC%14CC(CC(C%13)C%14)C%12)[Cu]%12%138%10[S](C8%10CC%14CC(CC(C%10)C%14)C8)[Cu]86%12[S](C6%10CC%12CC(CC(C%10)C%12)C6)[Cu]48([S]2C24CC6CC(CC(C4)C6)C2)[Au]37%13([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Cu]15%11[S]9C12CC3CC(CC(C2)C3)C1
• Title of publication: Modulating photo-luminescence of Au2Cu6 nanoclusters via ligand-engineering
• Authors of publication: Kang, Xi; Li, Xiaowu; Yu, Haizhu; Lv, Ying; Sun, Guodong; Li, Yangfeng; Wang, Shuxin; Zhu, Manzhou
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 46
• Pages of publication: 28606
• a: 20.9938 ± 0.0007 Å
• b: 20.9938 ± 0.0007 Å
• c: 18.1449 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6925.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No