Information card for entry 1545120

Structure parameters

• Chemical name: Au42(SC6H11)26
• Formula: C156 H286 Au42 S26
• Calculated formula: C156 H283 Au42 S26
• SMILES: [Au]1234567[Au]89%10%11[Au]%12%13%14%15[Au]%16%17%18%19%20%218[Au]8%22%23%24%25[Au]%26%27%28%29%30%16[Au]%16%31%32%23[Au]%23%332[Au]2%34%355[Au]5([Au]%36%374%10[Au]439%16[Au]39%27[Au]%10%16%27%26[Au]([S]([Au]%26%16[Au]%16%24%28%31[Au]%24%28%21%30([Au]%21%30%17[Au]%17%18%24([Au]([S]([Au]%18%24%25%21[Au]%21%25%3118[Au]1%22%18([Au]8%18%22[Au]%38%39%21([Au]([S]%18C%18CCCCC%18)[S]([Au]%11%13%20%24[Au]%31%39([Au]7%36%38([Au]6%23%34%2518[S]%22C1CCCCC1)[S]5C1CCCCC1)[S]([Au]([Au]([S]9C1CCCCC1)[S]%37C1CCCCC1)[S]%15C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]([Au][S]([Au][S]%35C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]([Au]([Au]([S]%16C1CCCCC1)[S]%33C1CCCCC1)[S]%30C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]([Au]%14%17[S]([Au]%12%19%293%10%28)C1CCCCC1)C1CCCCC1)[S]([Au][S]([Au][S]%27C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]%26C1CCCCC1)C1CCCCC1)[S]4C1CCCCC1)[S]([Au]2[S]%32C1CCCCC1)C1CCCCC1
• Title of publication: A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends.
• Authors of publication: Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun
• Journal of publication: Nanoscale
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 3742 - 3746
• a: 20.6257 ± 0.0011 Å
• b: 20.7452 ± 0.0011 Å
• c: 30.3877 ± 0.0016 Å
• α: 78.427 ± 0.003°
• β: 80.789 ± 0.003°
• γ: 62.667 ± 0.002°
• Cell volume: 11281.4 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 172.99 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: 0.1989
• Residual factor for significantly intense reflections: 0.1663
• Weighted residual factors for significantly intense reflections: 0.3875
• Weighted residual factors for all reflections included in the refinement: 0.4088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.514
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No