Information card for entry 4123542

Structure parameters

• Formula: C180 H116 Ag20 Au24 Cl2 N4 O4 S4
• Calculated formula: C180 H116 Ag20 Au24 Cl2 N4 S4
• SMILES: [C]1(#Cc2ccccc2)[Ag]2[n]3c([S]4[Ag]5[Au]6789[Au]%10%11%12[Au]%13%14%15%16[Ag]%17%18%19[S]%20c%21[n]([Ag]%22[Au]%23%24%25%13[Au]%13%26%276[Ag]6%28[Cl][Ag]%29([C](#Cc%30ccccc%30)([Ag]%30%29[C]%29(#Cc%31ccccc%31)[Ag]%31[C](#[C]%31c%31ccccc%31)[Au][C](#Cc%31ccccc%31)[Ag]%31[S]([Au][C]%28([Ag]6[C](#Cc6ccccc6)([Ag]6[C](#[C]6c6ccccc6)[Au][C]%19([Ag]([C](#Cc6ccccc6)([Ag]6[C](#[C]6c6ccccc6)[Au][C]5#Cc5ccccc5)[Au]1)[C]1([Ag]5([Ag]6[C]([Ag][C]%19(#Cc%28ccccc%28)[Ag]%28[C](#[C]%28c%28ccccc%28)[Au][C]%30([Ag]%28%17%23[S](c%17[n]([Ag]([Au]%23%30%14%18[Au]%14%18%325[Au]2%10%31([Au]8%13%14[Au]%24%26%28%23%18)[Au]%11%156%30%32)[C](#Cc2ccccc2)[Au]%19)cccc%17)[Au]1)#Cc1ccccc1)([Au]4)#Cc1ccccc1)Cl)#Cc1ccccc1)#Cc1ccccc1)[Au][C]%22#Cc1ccccc1)#Cc1ccccc1)c1[n]([Ag]7[C](#Cc2ccccc2)[Au]%29)cccc1)[Au]%20)[Au]9%12%16%25%27)cccc%21)cccc3
• Title of publication: An Intermetallic Au24Ag20 Superatom Nanocluster Stabilized by Labile Ligands.
• Authors of publication: Wang, Yu; Su, Haifeng; Xu, Chaofa; Li, Gang; Gell, Lars; Lin, Shuichao; Tang, Zichao; Häkkinen, Hannu; Zheng, Nanfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150327131618002
• a: 20.9728 ± 0.0005 Å
• b: 18.7149 ± 0.0005 Å
• c: 25.7811 ± 0.0007 Å
• α: 90°
• β: 97.335 ± 0.003°
• γ: 90°
• Cell volume: 10036.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No