Information card for entry 4002666

Structure parameters

• Formula: C234 H195 Au25 B Cl2 F6 P10 Sb Se5
• Calculated formula: C234 H195 Au25 B Cl2 F6 P10 Sb Se5
• SMILES: [Au]12345([Au]6789([Au]%10%11%12%13([Au]%14%15%16%17([Au]%18%19%201([Au]1%21%22%23%24%15[Au]%15%25%26%27%11%14[Au]%11%14%28%297%10[Au]7%10%30%3126[Au]26%323%181[Au]13%18%33%34([Au]%35%36%37%387([Au]7%39%40%41%11([Au]%11%42%43%44%15([Au]%15%45%46%211([Au]1%21%47%42([Au]%42%48%39%11([Au]%11%39%357([Au]7%35%18%36([Au]%183%151([Au]%34%38%41%44%46%21%42%117([Au]%23%26%28%306%33%37%40%43%45[Au]59%13%17%20%22%25%14%102[Au]48%12%16%19Cl)[Au]%47%48%39%35%18Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Se]%24c1ccccc1)[Se]%27c1ccccc1)[Se]%29c1ccccc1)[Se]%31c1ccccc1)[Se]%32c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[F-][Sb](F)(F)(F)(F)F
• Title of publication: How a Single Electron Affects the Properties of the “Non-Superatom” Au25Nanoclusters
• Authors of publication: Song, Yongbo; Jin, Shan; Kang, Xi; Xiang, Ji; Deng, Huijuan; Yu, Haizhu; Zhu, Manzhou
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2609
• a: 27.378 ± 0.002 Å
• b: 29.361 ± 0.002 Å
• c: 40.7368 ± 0.0016 Å
• α: 90°
• β: 133.273 ± 0.002°
• γ: 90°
• Cell volume: 23842 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No