Information card for entry 7251264

Structure parameters

• Common name: Au13dppeF3Br6 PPh4 DCM-EtOH/Hex at room temp
• Formula: C126 H68 Au13 Br6 F72 P7
• Calculated formula: C126 H68 Au13 Br6 F72 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: 16.5165 ± 0.0012 Å
• b: 18.4289 ± 0.0013 Å
• c: 32.773 ± 0.002 Å
• α: 82.0364 ± 0.0016°
• β: 88.9806 ± 0.0016°
• γ: 67.5128 ± 0.0015°
• Cell volume: 9121.3 ± 1.1 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No