Information card for entry 4128561

Structure parameters

• Formula: C336 H348 Ag40 P8 S24
• Calculated formula: C336 H348 Ag40 P8 S24
• SMILES: [P]([Ag]12[S]3(c4c(C)cc(C)cc4)[Ag]4[H]56[Ag]789[Ag]%10%11%12[H]%13%14[Ag]%15[S]%16([Ag]%17[H]%18%19[Ag]%20[H]%217[Ag]7[S]1([Ag]1[H]8%11[Ag]8[S]2(c2c(C)cc(C)cc2)[Ag]6S2([Ag]6[H]%11%22[Ag]%2359[H]59[Ag]%24[H]%25%20[Ag]%20S%26([Ag]%18S%18([Ag]%27[H]%28([Ag]%29[H]%30%31[Ag]%12%11%23[H]%11%10[Ag]%10S6([Ag]6([P](c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12)[S]%12([Ag]%11[S]([Ag]%14[S]([Ag]%28[S]([Ag]%30%12)([Ag]%11([P](c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12)[S]%27([Ag]%12[H]%24%29[Ag]%14[S]%11([Ag]%31[S]6([Ag]%22[S]6([Ag]5[S]%14([Ag]([P](c5ccccc5)(c5ccccc5)c5ccccc5)([S]%20%12c5c(C)cc(C)cc5)[S]([Ag]%25[S]([Ag]%26([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]%177c5c(C)cc(C)cc5)([Ag]3%21)c3c(C)cc(C)cc3)([Ag]9[S]4([Ag]26[P](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2)c2c(C)cc(C)cc2)c2c(C)cc(C)cc2)c2c(C)cc(C)cc2)c2c(C)cc(C)cc2)c2c(C)cc(C)cc2)c2c(C)cc(C)cc2)c2c(C)cc(C)cc2)([Ag]%16%18[P](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2)([Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S]%151c1c(C)cc(C)cc1)[S]8%10c1c(C)cc(C)cc1)c1c(C)cc(C)cc1)c1c(C)cc(C)cc1)c1c(C)cc(C)cc1)[Ag]%13%19)c1c(C)cc(C)cc1)c1c(C)cc(C)cc1)c1c(C)cc(C)cc1)c1c(C)cc(C)cc1)c1c(C)cc(C)cc1)(c1ccccc1)(c1ccccc1)c1cccc1
• Title of publication: Combinatorial Identification of Hydrides in a Ligated Ag₄₀ Nanocluster with Noncompact Metal Core.
• Authors of publication: Yuan, Xiting; Sun, Cunfa; Li, Xihua; Malola, Sami; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lan-Sun; Zheng, Nanfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 30
• Pages of publication: 11905 - 11911
• a: 29.9757 ± 0.0004 Å
• b: 29.9757 ± 0.0004 Å
• c: 25.6092 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23011 ± 0.6 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.1729
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2655
• Weighted residual factors for all reflections included in the refinement: 0.3327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No