Information card for entry 1545119

Structure parameters

• Chemical name: Au34(SC6H11)22
• Formula: C132 H242 Au34 S22
• Calculated formula: C132 H242 Au34 S22
• SMILES: [Au]1234567[Au]89%10%11[Au]%12%13%143[Au]348[Au]48[Au]%15%16%17%10[Au]%10%185([Au]5%19%20%21%221[Au]1%23%24[Au]%25%26%272[Au]2%105([Au]5([Au]%10%28%22%23[Au]%22%23%29([Au]%30%31%329%15%19[Au]%11%16([Au]%12([S]([Au][S]4C4CCCCC4)C4CCCCC4)[S]([Au]%13%211%10%30)C1CCCCC1)[S]([Au]1[Au]4%23%31([Au]([S]%28C9CCCCC9)[S]([Au]([Au]9%29%324[Au]([S]%17C4CCCCC4)[S]9C4CCCCC4)[S]([Au][S]([Au]%18%202%22)C2CCCCC2)C2CCCCC2)C2CCCCC2)[S]1C1CCCCC1)C1CCCCC1)[S]5C1CCCCC1)[S]%27C1CCCCC1)[S]([Au]1[Au]26%25([Au]47%26([Au]([S]%14C5CCCCC5)[S]4C4CCCCC4)[Au]([S]1C1CCCCC1)[S]([Au][S]%24C1CCCCC1)C1CCCCC1)[Au]([S]2C1CCCCC1)[S]3C1CCCCC1)C1CCCCC1)[S]8C1CCCCC1
• 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: 26.0266 ± 0.0007 Å
• b: 27.9405 ± 0.0008 Å
• c: 28.5247 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20743.1 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 172.99 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No