Information card for entry 1566370

Structure parameters

• Formula: C432 H471 Ag38 Au43 Cl12
• Calculated formula: C432 H471 Ag38 Au43 Cl12
• SMILES: [Ag]123[Cl]45[Ag]678[Au]9%10%11%12%13%14[Ag]%15%16%17%18[Au]%19%20%21%22%23%24%259[Ag]9(Cl)[Au]%26%27%28%29%30%10%22[Au]%10%22%31%32%33%21[Ag]%21%19([C](#[C]%21c%19ccc(cc%19)C(C)(C)C)[Au]%23[C]6%15#Cc6ccc(cc6)C(C)(C)C)[C]6([Ag]%15[C]%19([Au]%21[Au]%23%34%35%36%37%31[Ag]%31%38%19[Au]%19%39%40%41%28%33%35([Ag]%28%33%35%42[Au]%43%44%45%46%30%41[Au]%30%41%47%11[Au]%11%48%49%50%51%52[Ag]%53%54%55[Au]%56%57%37%39%46%51([Ag]%19(Cl)[C]%33([Au]%57[C]%54#Cc%19ccc(cc%19)C(C)(C)C)#[C]%35c%19ccc(cc%19)C(C)(C)C)[Ag]%19%23([Au]%23%33%35%37%39%36%50%56[Ag]%36%46%11([C]%53([Au]%39[C]%11#[C](c%39ccc(cc%39)C(C)(C)C)[Ag]%39%33%11[Au]%11%33%24%32%34%35[Au]([C]%24#[C](c%32ccc(cc%32)C(C)(C)C)[Ag]%20%11%24[Au]%118%14%25%52%37%33[Au]([C]7#Cc7ccc(cc7)C(C)(C)C)[C]%36([Ag]%23%11Cl)#[C]%46c7ccc(cc7)C(C)(C)C)[C]%15%39#Cc7ccc(cc7)C(C)(C)C)#Cc7ccc(cc7)C(C)(C)C)[Cl]7([Ag]8%11[Au]%14%15%20%23%24%30[Ag]%25%30[Au]%32%33%34%352%47[Ag]2%36%37[Au]%39%46%47%50%51%52%34[Ag]%34(Cl)[Au]%53%54%56%57%58%59%60%47[Ag]%47%615([Au]51%418%52%60[Ag]187[Au]7%41%52%60%23%585[Ag]5(Cl)[Au]%23%58%62%63%64%65%20%52[Ag]%20%52%15([C]%15([Ag]%66%14([Au]%14%67%68%69%24%35%64[Ag]%24(Cl)[Au]%35%64%70%71%72%33%50%68[Ag]%33%32([C]2([Au]%72[C]2#[C](c%32ccc(cc%32)C(C)(C)C)[Ag]%32%352[Au]2%35%50%63%67%71[Au]([C]%63#[C](c%67ccc(cc%67)C(C)(C)C)[Ag]%58%142%63)[C]%32([Ag]2[C]%14([Au]%32[Au]%56%41%62%35([Ag]%35%23%14[C](#[C]%35c%14ccc(cc%14)C(C)(C)C)[Au]%65%15)([Ag]%14%547[C]%32#[C]%14c7ccc(cc7)C(C)(C)C)[Au]7%14%46%57%70%50[Au]([C]%15#[C](c%23ccc(cc%23)C(C)(C)C)[Ag]%39%64%14%15)[C]2([Ag]2%537[C](#[C]2c2ccc(cc2)C(C)(C)C)[Au]%59[C]%471#Cc1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C)([Cl]%25([Ag]%26%43([C]%28([Au]%40[C]%31#[C]%38c1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C)[C](#Cc1ccc(cc1)C(C)(C)C)[Au]%29[C]%169#[C]%17c1ccc(cc1)C(C)(C)C)[Ag]%13%45[Cl]3%18%37)[C]%24([Au]%69[C]%66#Cc1ccc(cc1)C(C)(C)C)#[C]%33c1ccc(cc1)C(C)(C)C)[Cl]%42%30[Ag]%44%48[Cl]%55%11%20)#Cc1ccc(cc1)C(C)(C)C)[C]5([Au]%60[C]8#Cc1ccc(cc1)C(C)(C)C)#[C]%52c1ccc(cc1)C(C)(C)C)[C]%34([Au]%51[C]%36#Cc1ccc(cc1)C(C)(C)C)#[C]%61c1ccc(cc1)C(C)(C)C)[Ag]4%12%49)[C]%21#[C]%19c1ccc(cc1)C(C)(C)C)[Ag]1%27%22[C](#[C]1c1ccc(cc1)C(C)(C)C)[Au]%106)#Cc1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C
• 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: 26.1589 ± 0.0015 Å
• b: 26.1589 ± 0.0015 Å
• c: 148.875 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 88225 ± 10 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No