Information card for entry 4326614

Structure parameters

• Formula: Au25 Cl2 P10 S5
• Calculated formula: Au25 Cl2 P10 S5
• SMILES: [Au]123456789%10%11[Au]%12%13%14%15%16%17[Au]%18%19%20%21%221[Au]1%23%24%25%262[Au]2%27%28%29%30([Au]%31%32%33%34%35%363%12%181[Au]13%12%184%13[Au]4%138%25%35([Au]8%257%24([Au]7%24%355([Au]6%20%238([Au]9%15%217([Au]%10%163%24([Au]%11%124%25%35[P])[P])[P])[P])Cl)[P])[Au]345%28%34([Au]6789%10%11%12%15%27%33[Au]%16%20%192%31([Au]2%19%14%327([Au]7%14%218([Au]8%23%246([Au]9%1627([Au]%29%12%20%23([Au]%305%15%24([Au]3%10%148([Au]%3614%11%19%21S%18)[P])[P])[P])[P])Cl)[P])S%17)S%22)S%13)S%26
• Title of publication: Crystal Structures of Au2 Complex and Au25 Nanocluster and Mechanistic Insight into the Conversion of Polydisperse Nanoparticles into Monodisperse Au25 Nanoclusters
• Authors of publication: Huifeng Qian; William T. Eckenhoff; Mark E. Bier; Tomislav Pintauer; Rongchao Jin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10735 - 10739
• a: 36.7911 ± 0.0013 Å
• b: 60.4299 ± 0.0013 Å
• c: 40.1216 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 89202 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.3716
• Residual factor for significantly intense reflections: 0.2826
• Weighted residual factors for significantly intense reflections: 0.5765
• Weighted residual factors for all reflections included in the refinement: 0.6349
• Goodness-of-fit parameter for all reflections included in the refinement: 2.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No