Information card for entry 1566372

Structure parameters

• Formula: C216 H168 Ag20 Au24 Cl4
• Calculated formula: C216 H168 Ag20 Au24 Cl4
• SMILES: [Au]123456789[Au]%10%11%12%13%14[Au]%15%16%17%18%19%201[Au]1%21%22%23%24%25%264[Au]4%27%28%29%30%312[Au]2%32%33%34%35%36%37[Au]%38%39%40%41%10[Au]%10%42%433%1142[Au]([C]2(#Cc3ccccc3C)[Ag]35%10[C]45[Au][C](#Cc%10ccccc%10C)[Ag]%422[Au]2[C]%10[Ag]%11%34%40([C]([Au][C](#Cc%34ccccc%34C)[Ag]%34%29[Au]%29%40%42%44%45%21%27%32[Au]%21%27%32%161[Au]1%16%12%15%38[Au]%12%15%33%39%29%21[Ag]%21%44%27[C](#[C]%21c%21ccccc%21C)[Au]%21%27[Ag]%29%42[C]%33([Au]%22([Ag]%23%40([C]%34(#Cc%22ccccc%22C)[Au][C]%22[Ag]9%31([C]#%22c9ccccc9C)[C]3([Au][C]3#[C](c9ccccc9C)[Ag]7%19%243)#Cc3ccccc3C)[C]%29([Au][C]3#[C](c7ccccc7C)[Ag]%37%453[C]3(#Cc7ccccc7C)[Au][C]7#[C](c9ccccc9C)[Ag]%16%157[C]([Au][C](#Cc7ccccc7C)[Ag]7%20%32[C]%27#[C]7c7ccccc7C)([Ag]%41([Cl][Ag]%36%123)[C]2([Ag]%13[Cl][Ag]%181[C](#Cc1ccccc1C)([Au]%17[C](#Cc1ccccc1C)[Ag]%25%21%33)[Ag]6%144[C]#5c1ccccc1C)#Cc1ccccc1C)#Cc1ccccc1C)#Cc1ccccc1C)[C]1#[C](c2ccccc2C)[Ag]8%26%281)#Cc1ccccc1C)#[C]%11c1ccccc1C)[C]#%10c1ccccc1C)[C]1#[C](c2ccccc2C)[Ag]%30%35%431.[Cl-].[Cl-]
• Title of publication: Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters
• Authors of publication: Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 18.9562 ± 0.0018 Å
• b: 19.6527 ± 0.0018 Å
• c: 33.671 ± 0.003 Å
• α: 78.295 ± 0.003°
• β: 79.704 ± 0.003°
• γ: 63.881 ± 0.002°
• Cell volume: 10971.5 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.143
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No