Information card for entry 1566613

Structure parameters

• Chemical name: Au19Ag6
• Formula: C227 H209 Ag6 Au19 B2 F8 O17 P6 S17
• Calculated formula: C227 H209 Ag6 Au19 B2 F8 O17 P6 S17
• SMILES: [Au]123456789%10%11[Au]%12%13%14%15%16%17%18[Au]%19%20%21%22%231[Au]1%24%25%26%275[Au]5%28%29%30%31%324[Au]4%33%34%35%36%373[Au]3%38%39%402%12[Au]2%124([Au]([S]%40c4ccc(OC)cc4)[P](c4ccccc4)(c4ccccc4)c4ccccc4)[Ag]4%408%16%353([Ag]38%166%15%20%24[Au]%14%19([Au]([S]%23c6ccc(OC)cc6)[P](c6ccccc6)(c6ccccc6)c6ccccc6)([S]([Au]6%13([Au]([S]%18c%13ccc(OC)cc%13)[P](c%13ccccc%13)(c%13ccccc%13)c%13ccccc%13)[Ag]%13%149%17%21%38([Ag]9%15%10%30%36%39([Au]%33([Au]([S]%37c%10ccc(OC)cc%10)[P](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)([S]%15c%10ccc(OC)cc%10)[S]%12c%10ccc(OC)cc%10)[Ag]%10%11%22%26%31%13([Au]15([Au]([S]%27c1ccc(OC)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([S]([Au]1%28([Au]([S]%32c5ccc(OC)cc5)[P](c5ccccc5)(c5ccccc5)c5ccccc5)[Ag]7%25%29%3443([S]%40%16c3ccc(OC)cc3)[S]1c1ccc(OC)cc1)c1ccc(OC)cc1)[S]%10c1ccc(OC)cc1)[S]%149c1ccc(OC)cc1)[S]6c1ccc(OC)cc1)c1ccc(OC)cc1)[S]8c1ccc(OC)cc1)[S]2c1ccc(OC)cc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Site-Specified Doping of Silver Atoms into Au25 Nanocluster as Directed by Ligand Binding Preference
• Authors of publication: Shi, Wan-Qi; Guan, Zong-Jie; Li, Jiao-Jiao; Han, Xu-Shuang; Wang, Quan-Ming
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 20.4536 ± 0.0006 Å
• b: 20.7898 ± 0.0007 Å
• c: 33.6586 ± 0.0009 Å
• α: 72.945 ± 0.003°
• β: 82.104 ± 0.002°
• γ: 63.917 ± 0.003°
• Cell volume: 12289 ± 0.7 ų
• Cell temperature: 172.98 ± 0.1 K
• Ambient diffraction temperature: 172.98 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1545
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No