Information card for entry 4131883

Structure parameters

• Formula: C252 H246 Ag26 P6 Pt S18
• Calculated formula: C252 H246 Ag26 P6 Pt S18
• SMILES: [Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]2([Ag]3[S]4([Ag]([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]5([Ag]2[S]([Ag]2[Pt]6789%10%11%12%13%14([Ag]%15[S]%16(c%17c(CC)cccc%17)[Ag]([P](c%17ccccc%17)(c%17ccccc%17)c%17ccccc%17)[S]%17([Ag]%18[S]%19([Ag]([S]([Ag]7[Ag]9[S]([Ag]%19[S]7([Ag]8[Ag]%10[S]([Ag]%16[S]%18([Ag]7[P](c7ccccc7)(c7ccccc7)c7ccccc7)c7c(CC)cccc7)c7c(CC)cccc7)c7c(CC)cccc7)c7c(CC)cccc7)([Ag]%17[S]([Ag]%11%15)c7c(CC)cccc7)c7c(CC)cccc7)[P](c7ccccc7)(c7ccccc7)c7ccccc7)c7c(CC)cccc7)c7c(CC)cccc7)[Ag]([Ag]5%14)[S]([Ag]4[S]4([Ag]([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]3([Ag]([S]([Ag]6[Ag]%124)c3c(CC)cccc3)[S]1([Ag]2%13)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1
• Title of publication: Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters.
• Authors of publication: He, Lizhong; Yuan, Jinyun; Xia, Nan; Liao, Lingwen; Liu, Xu; Gan, Zibao; Wang, Chengming; Yang, Jinlong; Wu, Zhikun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 10
• Pages of publication: 3487 - 3490
• a: 31.446 ± 0.006 Å
• b: 31.446 ± 0.006 Å
• c: 49.095 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 42043 ± 14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No