Information card for entry 1560269

Structure parameters

• Formula: C216 H140 Ag24 Cl20 F20 P4 Pt S20
• Calculated formula: C216 H140 Ag24 Cl20 F20 P4 Pt S20
• SMILES: Fc1ccc([S]2[Ag]3[Ag]45[S]6([Ag]74[S]([Ag]4[S]([Ag]8[Ag]9[S]4([Ag]4[S]7([Ag]([S]([Ag]26)c2c(Cl)cc(cc2)F)[S]2([Ag]([S]([Ag]6[Pt]7%10%11%12%133589([Ag]26)[Ag]2[S]([Ag]3[S]([Ag]5S6([Ag]([S]3([Ag]%102)c2ccc(F)cc2Cl)[S]([Ag]2[S]([Ag]%13[Ag]%11[S]2c2c(Cl)cc(F)cc2)([Ag]6[S]([Ag]2[S]5([Ag]7[Ag]%12[S]2c2ccc(F)cc2Cl)c2ccc(F)cc2Cl)c2c(Cl)cc(F)cc2)c2ccc(F)cc2Cl)c2c(Cl)cc(F)cc2)c2ccc(F)cc2Cl)c2c(cc(F)cc2)Cl)c2ccc(F)cc2Cl)c2c(Cl)cc(F)cc2)[S]4c2c(Cl)cc(F)cc2)c2ccc(F)cc2Cl)c2ccc(cc2Cl)F)c2ccc(F)cc2Cl)c2ccc(F)cc2Cl)c2c(cc(F)cc2)Cl)c2ccc(F)cc2Cl)c(Cl)c1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(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: 18.9452 ± 0.001 Å
• b: 19.2539 ± 0.0012 Å
• c: 20.0639 ± 0.0011 Å
• α: 89.647 ± 0.004°
• β: 67.76 ± 0.003°
• γ: 71.704 ± 0.003°
• Cell volume: 6378.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1495
• Residual factor for significantly intense reflections: 0.1253
• Weighted residual factors for significantly intense reflections: 0.3288
• Weighted residual factors for all reflections included in the refinement: 0.3579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3425
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No