Information card for entry 4135282

Structure parameters

• Formula: C444 H224 Au110 F144 N2
• Calculated formula: C432 H194 Au110 F144
• Title of publication: Total Structure Determination of the Largest Alkynyl-Protected fcc Gold Nanocluster Au₁₁₀ and the Study on Its Ultrafast Excited-State Dynamics.
• Authors of publication: Wang, Jia-Qi; Shi, Shuang; He, Rui-Lin; Yuan, Shang-Fu; Yang, Gao-Yuan; Liang, Gui-Jie; Wang, Quan-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 25.4658 ± 0.0013 Å
• b: 25.5043 ± 0.0012 Å
• c: 25.6054 ± 0.0012 Å
• α: 67.082 ± 0.004°
• β: 85.207 ± 0.004°
• γ: 84.085 ± 0.004°
• Cell volume: 15219 ± 1.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1595
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No