Information card for entry 4133891

Structure parameters

• Formula: C220 H330 Au40 S22
• Calculated formula: C220 H330 Au40 S22
• SMILES: [Au]123456[Au]789%10%11%12%13%14%15%16[Au]%17%18%19%20%21%22%231[Au]1%24%25%26%27%28%29%30%31[Au]%32%33%34%35%36%37%38%397[Au]7%40%41%42%4328%171[Au]12839[Au]39%17%444%10[Au]4%10%455%11%18[Au]5%11%18%123([Au]3%12%46%1319[Au]19%13%14%3272[Au]27%14%32%47%48%49%50%40[Au]%40%51%52%53%54%55%24%41[Au]%24%41%56%19%25%42([Au]%19%25%42%20%26([Au]%20%26%57%58%27[Au]%27%59%60%21%28%33%19[Au]%19%15%22%3445[Au]4%16%35%1131[Au]1%36([Au]35%3792([Au]29%137([Au]%12([S]9C79CC%11CC(C7)CC(C9)C%11)[S]%46C79CC%11CC(C7)CC(C9)C%11)[Au]79%11%12%47[Au]%13%325([Au]%30%39%14%403([Au]3%29%38%26%60[Au]5%20%59([Au]%27([S]%19C%14%15CC%16CC(C%14)CC(C%15)C%16)[S]5C5%14CC%15CC(C5)CC(C%14)C%15)[S]3C35CC%14CC(C3)CC(C5)C%14)[S]%13C35CC%13CC(C3)CC(C5)C%13)([Au]35%48%517[Au]7%43%49%52([Au]%5029([S]8C28CC9CC(C2)CC(C8)C9)[S]%12C28CC9CC(C2)CC(C8)C9)[Au]%53%24([S]7C27CC8CC(C2)CC(C7)C8)[S]([Au]27%41[Au]8%31%54%56%25([Au]%42%572([S]%58C29CC%12CC(C2)CC(C9)C%12)[S]7C27CC9CC(C2)CC(C7)C9)[Au]%553([S]8C23CC7CC(C2)CC(C3)C7)[S]5C23CC5CC(C2)CC(C5)C3)C23CC5CC(C2)CC(C3)C5)[S]%11C23CC5CC(C2)CC(C3)C5)[S]1C12CC3CC(C1)CC(C2)C3)[S]4C12CC3CC(C1)CC(C2)C3)[S]([Au]%23%10[S]%45C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)[S]6C12CC3CC(C1)CC(C2)C3)[Au]%17([S]%44C12CC3CC(C1)CC(C2)C3)[S]%18C12CC3CC(CC(C3)C2)C1
• Title of publication: A Dual Purpose Strategy to Endow Gold Nanoclusters with Both Catalysis Activity and Water Solubility.
• Authors of publication: Zhao, Yan; Zhuang, Shengli; Liao, Lingwen; Wang, Chengming; Xia, Nan; Gan, Zibao; Gu, Wanmiao; Li, Jin; Deng, Haiteng; Wu, Zhikun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 22.007 ± 0.002 Å
• b: 24.624 ± 0.003 Å
• c: 28.245 ± 0.003 Å
• α: 87.06 ± 0.003°
• β: 89.023 ± 0.003°
• γ: 83.801 ± 0.003°
• Cell volume: 15195 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.2926
• Weighted residual factors for all reflections included in the refinement: 0.317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No