Information card for entry 1566371

Structure parameters

• Formula: C324 H251 Ag38 Au43 Cl9
• Calculated formula: C324 H251 Ag38 Au43 Cl9
• SMILES: [Ag]123[Au]456789[Ag]%10%11%12[Au]%13%14%15%16%17%18[Ag]%19%20[Au]%21%22%23%24%251[Ag]1%26%27[Au]%28%29%30%31%32%18%25[Ag]%18%25%33[Au]%34%35%36%37%30[Au]%30[C]%38([Ag]%39[Au]%40%41%24%31%37[Ag]%24%21([C]%21([Ag]([Au]%31%37%42%35%40[Ag]%35%38[Cl][Ag]%38%40[Au]%43%44%45%46%47%16%29%34[Ag]%16%13([Au]%47([C](#Cc%13ccccc%13C)[Ag]%13%14%43[Cl]%14%11[Ag]%11%29[Au]%34%43%47%48%49%50[Ag]%51%52[Au]%53%54%55%56%57%58[Ag]%59%60%61[Au]%62%63%64%65%66%48%56[Ag]%48%56%34([Au]%34%67%68%69%70%71%47%63[Ag]%47%63%72%73[Au]%74%75%76%77%78%79%70[Ag]%70%80%67[C]%67([Au][C]%81%82[Ag]%83%62%34([Au]%34%62%64%69%76[Ag]%81([C]%64([Ag]%69%76%81[Au]%84%85%86%75%34[Ag]%34%75%87[Au]%88[C]%87([Ag]%87%89[Au]%90%91%92%93%94%77%86%34[Ag]%34%77%86[Au]%95%96%97%58%85%92[Ag]%58%85([Ag]%53([Cl]2[Ag]%54([Au]2%11%94%97([Ag]%11%53([Au]%50%71%47%78%932[Au]%63([C]%53([Ag]%90([Au]%79([C]%87([Ag]%74%67[Cl]%76)#Cc2ccccc2C)[C]%72#[C]%73c2ccccc2C)[C]%89([Au]%91[C]%77%11#Cc2ccccc2C)#Cc2ccccc2C)#Cc2ccccc2C)[C](#Cc2ccccc2C)[Ag]%14%43[C]%48([Au]%68[C]%70#[C]%80c2ccccc2C)#Cc2ccccc2C)[Cl]%19%16%29)[Au]6%15%22%49%57)[Cl]%201%34)([C]%60([Au]%64[Au]%55%65%62%69%84%96%58)#Cc1ccccc1C)[C]%85([Au]%95[C]%75%86#Cc1ccccc1C)#Cc1ccccc1C)[C]%81%88#Cc1ccccc1C)#Cc1c(cccc1)C)#Cc1ccccc1C)[C]#%82c1ccccc1C)[C]%56([Au]%66[C]%61#Cc1ccccc1C)#[C]%83c1ccccc1C)#Cc1ccccc1C)[Cl]%12%51[Ag]1264[Au]4%11%128%10%17%46[Ag]8%44[C]([Au]%10[Ag]%14%15([Au]%16%17%197%31%11([Ag]([C]%35([Au][C](#Cc7ccccc7C)[Ag]%16[C](#Cc7ccccc7C)[Au]%17([Ag]75([Au]9%23%41%42%19[Au]%21[C]7#Cc5c(cccc5)C)[Cl]3%52%59)[C]1#[C]2c1ccccc1C)#Cc1ccccc1C)[C]%10%14#Cc1ccccc1C)[Au]%36%37%38%45%12)[C]6([Au]4[C]%13#Cc1ccccc1C)#[C]%15c1ccccc1C)#[C]8c1ccccc1C)[C]%33%40#Cc1ccccc1C)[C](#Cc1ccccc1C)[Au]%32%18[C]%26#Cc1ccccc1C)[Cl]%39)#[C]%24c1c(cccc1)C)[C]%27([Au]1[Ag]%28([C]1#Cc1ccccc1C)[C]%25%30#Cc1ccccc1C)#Cc1ccccc1C)#Cc1ccccc1C
• 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: 25.413 ± 0.002 Å
• b: 25.542 ± 0.002 Å
• c: 28.705 ± 0.003 Å
• α: 77.099 ± 0.003°
• β: 83.178 ± 0.003°
• γ: 73.626 ± 0.003°
• Cell volume: 17394 ± 3 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: 0.2172
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No