Information card for entry 7132550

Structure parameters

• Formula: C296 H122 Ag27 Au34 F68 P
• Calculated formula: C296 H122 Ag27 Au34 F68 P
• SMILES: [Au]12[Au]345[Au]67[Au]89%10[Au]%11%126[Au]6%13%14%15[Au]%16%17[Au]%18%196[Au]6%20%21[Au]%22%23%244[Au]4%25%266[Au]3([Au]59[Ag]7[C](#Cc3cc(c(cc3)F)F)[Au][C]3#[C](c5cc(c(cc5)F)F)[Ag]3)[Ag]%14%23([Au]31%11%18[Ag]1%24[C](#Cc5ccc(F)c(c5)F)[Au]5%22[Ag]2([C](#Cc2cc(F)c(cc2)F)[Au][C]2#[C](c6cc(c(cc6)F)F)[Ag]2)[C]2([Au][C]6#[C](c7cc(c(F)cc7)F)[Ag]6[C]6(#Cc7ccc(c(c7)F)F)[Au][C]1([Ag]1[C](#[C]1[Au][C](#Cc1ccc(c(c1)F)F)[Ag]1%19[C]([Au][C]7#[C](c9ccc(F)c(c9)F)[Ag]7)(#Cc7cc(c(F)cc7)F)[Ag]7[C](c9ccc(c(F)c9)F)#[C]7[Au][C]7(#[C](c9cc(c(cc9)F)F)[Ag]97[C]7(#[C]9c9ccc(c(c9)F)F)[Au][C](#Cc9cc(F)c(cc9)F)[Ag][C]5([Ag]59%21%26[Ag]%11%14%18%19([Au]%20%25([Ag]%20%14([Au]([C]5%18#Cc5ccc(F)c(c5)F)[C]5#[C](c%14ccc(c(F)c%14)F)[Ag]75)[C](c5ccc(c(c5)F)F)#[C]%20[Au][C]5#[C](c7ccc(c(c7)F)F)[Ag]5)[Ag]5[C](#[C]5c5ccc(c(c5)F)F)[Au]%11[C]9#Cc5cc(F)c(cc5)F)[C](#[C]%19[Au][C]5#[C](c7ccc(c(c7)F)F)[Ag]5)c5ccc(c(c5)F)F)#Cc5ccc(F)c(F)c5)[Ag]5[C](#[C]5c5ccc(c(c5)F)F)[Au][C](#Cc5cc(F)c(cc5)F)([Ag]%10%12([Au]%13([C]51[Ag]%1536[C]#5c1cc(c(cc1)F)F)[C]1#[C](c3ccc(c(c3)F)F)[Ag]1)[C](#Cc1cc(c(F)cc1)F)[Au][C]1#[C](c3cc(c(cc3)F)F)[Ag]1)[Ag]1[C](#[C]1[Au][C]1#[C](c3cc(c(F)cc3)F)[Ag]21)c1ccc(c(c1)F)F)c1ccc(c(c1)F)F)#Cc1cc(F)c(F)cc1)#Cc1ccc(c(F)c1)F)[Au]8%17[Au]%164.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tailoring the subshell and electronic structure of an atomically precise AuAg alloy nanocluster.
• Authors of publication: Deng, Guocheng; Ki, Taeyoung; Liu, Xiaolin; Chen, Yuping; Lee, Kangjae; Yoo, Seungwoo; Tang, Qing; Bootharaju, Megalamane S.; Hyeon, Taeghwan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 10
• Pages of publication: 1289 - 1292
• a: 21.0215 ± 0.0002 Å
• b: 22.1806 ± 0.0002 Å
• c: 35.4832 ± 0.0003 Å
• α: 88.101 ± 0.001°
• β: 74.928 ± 0.001°
• γ: 87.324 ± 0.001°
• Cell volume: 15954.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.2649
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No