Information card for entry 1571781

Structure parameters

• Formula: C96 H120 Au2 Cu6 P2 S6
• Calculated formula: C96 H120 Au2 Cu6 P2 S6
• SMILES: [Au]123456([Cu]789%10[S](C%11%12CC%13CC(C%12)CC(C%11)C%13)[Cu]%11%1269[Cu]691([S](C1%13CC%14CC(C%13)CC(C1)C%14)[Cu]1%1349[Cu]492([S](C2%14CC%15CC(C%14)CC(C2)C%15)[Cu]589([Au]37%11614[P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]%10C12CC3CC(C2)CC(C1)C3)[S]%13C12CC3CC(C2)CC(C1)C3)[S]%12C12CC3CC(C2)CC(C1)C3)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Rethinking the stability of metal nanoclusters: the individual <i>versus</i> the collective.
• Authors of publication: Zhang, Di; Pan, Peiyao; Du, Xiaoqin; Kang, Xi; Zhu, Manzhou
• Journal of publication: Nanoscale
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 11513 - 11517
• a: 21.0039 ± 0.0006 Å
• b: 21.0039 ± 0.0006 Å
• c: 18.0081 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6880.2 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No