Information card for entry 1560267

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([Ag]%15%163([Ag]3%17%18%192[Ag]2%205([Ag]5%211([Ag]163[Ag]39%16%18([Ag]%10%14%21([Ag]698%135[Ag]584%12[Ag]7%15%172([Ag]%11%2065[S]([Ag]([S]8c2ccc(F)cc2Cl)([S]9c2ccc(F)cc2Cl)[P](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(F)cc2Cl)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[Ag]([S]1c1c(Cl)cc(F)cc1)([S]%19c1ccc(F)cc1Cl)([S]3c1ccc(F)cc1Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 48.002 ± 0.01 Å
• b: 35.012 ± 0.007 Å
• c: 30.277 ± 0.006 Å
• α: 90°
• β: 127.84 ± 0.03°
• γ: 90°
• Cell volume: 40185 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0661
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.77484 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No