Information card for entry 1564691

Structure parameters

• Formula: C150 H132 Ag4 Au14 Cl6 P12
• Calculated formula: C150 H132 Ag4 Au14 Cl6 P12
• SMILES: [Au]12345[Au]6789%10%11%12[Au]%13%14[Au]%15%16%17%18[Au]%19%20%21%22%236[Au]61([Au]1%24%19[Au]%16%20([Au]%16%17%21[Au]%2261[P](C[P]%16(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C[P]%24(c1ccccc1)c1ccccc1)([Ag]%23([Au]13%10([Au]3627[Au]278([Au]9%13%15([Ag]%112([Ag]4%127Cl)Cl)([Ag]13Cl)[P](C[P]%18(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C[P]6(c1ccccc1)c1ccccc1)[P](C[P]%14(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl)[P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
• Title of publication: Reversible transformation between Au₁₄Ag₈ and Au₁₄Ag₄ nanoclusters.
• Authors of publication: Pan, Peiyao; Zhou, Chuanjun; Li, Hao; Zhu, Chen; Chen, Cheng; Kang, Xi; Zhu, Manzhou
• Journal of publication: Nanoscale
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 40
• Pages of publication: 17162 - 17167
• a: 16.4329 ± 0.0002 Å
• b: 56.1369 ± 0.0008 Å
• c: 18.7093 ± 0.0003 Å
• α: 90°
• β: 99.717 ± 0.001°
• γ: 90°
• Cell volume: 17011.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No