Information card for entry 1576388

Structure parameters

• Common name: Au13(dppe)5(PA)2(OTf)3 big xtal CH3CN/Ether
• Formula: C154 H139 Au13 F6 N3 O6 P10 S2
• Calculated formula: C154 H139 Au13 F6 N3 O6 P10 S2
• Title of publication: Sc(OTf)3-Induced, Selective Removal of Alkynyl Ligands from Heteroleptic Au13 and Au38 Nanoclusters
• Authors of publication: Huang, Zengguang; Takano, Shinjiro; Tsukuda, Tatsuya
• Journal of publication: Nanoscale
• Year of publication: 2025
• a: 25.563 ± 0.0006 Å
• b: 21.6738 ± 0.0006 Å
• c: 30.9636 ± 0.0007 Å
• α: 90°
• β: 97.064 ± 0.001°
• γ: 90°
• Cell volume: 17025.1 ± 0.7 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No