Information card for entry 7127865

Structure parameters

• Formula: C190 H151 Au23 N4 O4 P9 S4
• Calculated formula: C190 H151 Au23 N4 O4 P9 S4
• SMILES: [Au]12345678[Au]9%10%11%12%13%14%15[Au]%16%17%18%19%20%211[Au]1%22%23%24%252([Au]2%26%27%28%29%303[Au]3%31%32%33%34%359[Au]9%36%37%38%39%161[Au]1%19%22([Au]%16%239([Au]9%19%25%29[Au]8%24%27([Au]842([Au]246%12[Au]5%11%18([Au]5%10%17([Au]6%10%15%32%36([Au]%133([Au]%14%26%3182([Au]%28%33([Au]%30%34%37%169([Au]%35%396[P](c2ccccc2)(c2ccccc2)c2ccccc2)Sc2[o]%19c3c(n2)cccc3)[P](c2ccccc2)(c2ccccc2)c2ccccc2)Sc2[o]4c3c(n2)cccc3)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[Au]%21%3815[o]1c(S%10)nc2ccccc12)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au]7%20Sc1oc2c(n1)cccc2
• Title of publication: Distinct structure assembly driven by metal-ligand binding in Au₂₃ nanoclusters and its relation to photocatalysis.
• Authors of publication: Li, Shuohao; Sun, Yongnan; Wu, Chenyang; Hu, Weigang; Li, Wei; Liu, Xu; Chen, Mingyang; Zhu, Yan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 17
• Pages of publication: 2176 - 2179
• a: 27.567 ± 0.004 Å
• b: 28.542 ± 0.004 Å
• c: 31.98 ± 0.005 Å
• α: 68.697 ± 0.004°
• β: 66.104 ± 0.004°
• γ: 90.004 ± 0.004°
• Cell volume: 21111 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2035
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No