Information card for entry 7251265

Structure parameters

• Common name: Au13dppeF3I6 PPh4 DCM-EtOH/Hex rt
• Formula: C128.5 H73 Au13 Cl5 F72 I6 P7
• Calculated formula: C128.5 H73 Au13 Cl5 F72 I6 P7
• Title of publication: An icosahedral Au13 nanocluster with three adjacent chlorides on opposite poles catalyses hydroamination of phenylacetylene
• Authors of publication: Wu, Shen; Tsukuda, Tatsuya; Takano, Shinjiro
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2025
• a: 19.2272 ± 0.0016 Å
• b: 31.163 ± 0.003 Å
• c: 32.096 ± 0.003 Å
• α: 82.1696 ± 0.0016°
• β: 87.1604 ± 0.0016°
• γ: 78.7233 ± 0.0016°
• Cell volume: 18679 ± 3 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No