Information card for entry 1564692

Structure parameters

• Formula: C154 H132 Ag8 Au14 Cl4 N4 P12
• Calculated formula: C154 H132 Ag8 Au14 Cl4 N4 P12
• SMILES: c1ccccc1[P]1(C[P](c2ccccc2)([Au]23456[Ag]789%10([Au]%11%12%13%14%15%16%17%182[Ag]2%19%20%21%22%23([N]#C[Ag]C#N)[Ag]%24%25%26%11([Au]%11%27%288%13[P](c8ccccc8)(c8ccccc8)C[P](c8ccccc8)([Au]49%14%24%27[Au]46%18%23%26[P](C[P](c6ccccc6)([Au]689%204[Au]4%13%1413[Ag]13%185%10%15([Au]5%107%12%11[Au]7%11%121([P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Ag]1543([Au]34%15%16%198%13%187[Ag]7826([Au]2%21%113([Au]%17%22%25%28%10[P](C[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[Au]2%125%158[Au]9%14147[P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)Cl)Cl)[N]#C[Ag]C#N)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)Cl)Cl)c1ccccc1)c1ccccc1
• 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: 17.3969 ± 0.0005 Å
• b: 23.5948 ± 0.0004 Å
• c: 23.5308 ± 0.0005 Å
• α: 90°
• β: 90.862 ± 0.002°
• γ: 90°
• Cell volume: 9657.7 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2574
• Weighted residual factors for all reflections included in the refinement: 0.2872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No