Information card for entry 4002665

Structure parameters

• Formula: C210 H175 Au25 Cl2 F6 P10 Sb Se5
• Calculated formula: C210 H175 Au25 Cl2 F6 P10 Sb Se5
• SMILES: F[Sb](F)(F)(F)(F)[F-].[P]([Au]12345[Au]6789([Au]%10%11%12%13([P](c%14ccccc%14)(c%14ccccc%14)c%14ccccc%14)[Au]%14%15%16%17([P](c%18ccccc%18)(c%18ccccc%18)c%18ccccc%18)[Au]%18%19%201([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au]1%21%22%23%24%15[Au]%15%25%26%27%11%14[Au]%11%14%28%296%10[Au]6%10%30%3137[Au]37%322%181[Se](c1ccccc1)[Au]12%18%33%34%32[Au]%32%35%36%37%23%26%14%307([Au]59%13%17%20%22%25%11%103[Au]48%12%16%19Cl)[Au]3457%28([Au]89%10%11([P](c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12)[Au]%12%13%141([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au]1%16%172([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Au]2%19%20%22([P](c%23ccccc%23)(c%23ccccc%23)c%23ccccc%23)[Au]%23%2538([P](c3ccccc3)(c3ccccc3)c3ccccc3)[Au]3%27%3242([Se]%15c2ccccc2)[Au]%24%18%351%19([Se]%21c1ccccc1)[Au]%34%377%11%14%17%22%253([Au]%31%33%3659%12[Se]6c1ccccc1)[Au]%10%13%16%20%23Cl)[Se]%29c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 30.927 ± 0.004 Å
• b: 26.416 ± 0.003 Å
• c: 31.341 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25605 ± 5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No