Information card for entry 1560268

Structure parameters

• Formula: C180 H138 Ag14 Cl6 F6 P8 Pt S6
• Calculated formula: C180 H138 Ag14 Cl6 F6 P8 Pt S6
• SMILES: [Pt]123456789%10%11[Ag]%12%13%14%15%16[Ag]%17%18%191[Ag]1%202%12([Ag]2%126%18([Ag]6%185([Ag]4%14%17([Ag]43%13([Ag]8%15%20([Ag]712[P](c1ccccc1)(c1ccccc1)c1ccccc1)([Ag]12%11[Ag]35964[Ag]%10%12%181[S]([Ag]3([S]5c1c(Cl)cc(F)cc1)([S]2c1c(Cl)cc(F)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(Cl)cc(F)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]([Ag]([S]%16c1c(Cl)cc(F)cc1)([S]%19c1c(Cl)cc(F)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(Cl)cc(F)cc1
• Title of publication: Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters
• Authors of publication: Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2021
• Journal volume: 125
• Journal issue: 3
• Pages of publication: 2194 - 2201
• a: 47.8113 ± 0.0013 Å
• b: 34.9302 ± 0.001 Å
• c: 30.1732 ± 0.0008 Å
• α: 90°
• β: 127.995 ± 0.001°
• γ: 90°
• Cell volume: 39711 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No