Information card for entry 1567798

Structure parameters

• Formula: C124 H180 Au21 P4 S12
• Calculated formula: C124 H180 Au21 P4 S12
• SMILES: C1(CCCCC1)[S]1[Au]23[Au]4567[Au]89%10%11[Au]%12%13%145[Au]5%15%16%17[Au]%18%194([Au]4([Au]%15%18([Au]%19([S]4C4CCCCC4)[S]([Au]4%16[Au]%1585([S]4C4CCCCC4)[Au]4589[Au]9%16%18([Au]%19%20%211[Au]3%10%154[P](c1ccccc1)(CC[P]([Au]1%16%20[Au]9([S]8C3CCCCC3)[S]([Au]%181[S]([Au]1%21[Au]7%11%14%19[S]1C1CCCCC1)C1CCCCC1)C1CCCCC1)(c1ccccc1)c1ccccc1)c1ccccc1)[S]([Au]%135[S]%17C1CCCCC1)C1CCCCC1)C1CCCCC1)[P](CC[P]%12(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[S]6C1CCCCC1)[S]2C1CCCCC1
• Title of publication: Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters
• Authors of publication: Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou
• Journal of publication: Nanoscale
• Year of publication: 2022
• a: 15.416 ± 0.0009 Å
• b: 15.9669 ± 0.0011 Å
• c: 19.0841 ± 0.0012 Å
• α: 111.495 ± 0.005°
• β: 112.712 ± 0.005°
• γ: 93.327 ± 0.005°
• Cell volume: 3921.4 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No