Information card for entry 7228351

Structure parameters

• Formula: C98 H118 Au2 Cl12 Cu6 F6 P S
• Calculated formula: C98 H118 Au2 Cl4 Cu6 F6 P2 S6
• SMILES: [P]([Au]1234[Cu]5678[S](C9%10CC%11CC(C%10)CC(C9)C%11)[Cu]916[S](C16CC%10CC(C6)CC(C1)C%10)[Cu]129[S](C26CC9CC(C6)CC(C2)C9)[Cu]2641[S](C14CC9CC(CC(C1)C9)C4)[Cu]146[S](C69CC%10CC(C9)CC(C6)C%10)[Cu]84([S]5C45CC6CC(C5)CC(C4)C6)[Au]3721[P](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F)(c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F.C(Cl)Cl.C(Cl)Cl
• 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: 13.565 ± 0.0005 Å
• b: 15.697 ± 0.0006 Å
• c: 15.8108 ± 0.0006 Å
• α: 111.329 ± 0.002°
• β: 98.629 ± 0.002°
• γ: 114.913 ± 0.002°
• Cell volume: 2654.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No