Information card for entry 1573390

Structure parameters

• Formula: C96 H216 Ag14 O24 P12 Pd6 S25
• Calculated formula: C96 H216 Ag14 O24 P12 Pd6 S25
• SMILES: C(C(C)C)OP1(OCC(C)C)[S]2[Ag]3456789[S]%10P(OCC(C)C)(OCC(C)C)=[S][Pd]%11%12%13%14%15%16%175[Ag]5%18%19%203%10[Ag]3%10%21%11[S]%11P(OCC(C)C)(OCC(C)C)=[S][Ag]%22%23%24%25%13[S]%13=P(OCC(C)C)(OCC(C)C)[S]%26[Ag]%27%28%12%10%11%22[Pd]%10%11%12%22%29%14%23%13[Pd]%13%14%23%30%31%324([S]=1)S14%15%10[Pd]%10%15%33%34%17%19%21%28[Ag]%17%19%21%28%35%36[Ag]%375%10([S]%18P(OCC(C)C)(=[S]3)OCC(C)C)[S]=P(OCC(C)C)(OCC(C)C)[S]%17[Ag]35%10%17%28[S]=P(OCC(C)C)(OCC(C)C)[S]%18[Ag]%28%38%39%14[S]=P(OCC(C)C)(OCC(C)C)[S]%14[Ag]%40%41%12%13%28([S]%12P(OCC(C)C)(OCC(C)C)=[S][Pd]%13%324%36%17%39%41([Ag]%26%27%11%33%21%40%12[S]%19P(OCC(C)C)(OCC(C)C)=[S]%15)[Ag]47%235%18%38[S]6=P(OCC(C)C)(OCC(C)C)[S]3[Pd]9%201%34%35%37%10%134)[Ag]1%29%31%14[Ag]28%16%24%22%30[S]%25P(OCC(C)C)(OCC(C)C)=[S]1
• Title of publication: Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters.
• Authors of publication: Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W.
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 1990 - 1996
• a: 15.605 ± 0.005 Å
• b: 18.06 ± 0.005 Å
• c: 18.102 ± 0.008 Å
• α: 119.776 ± 0.006°
• β: 93.951 ± 0.01°
• γ: 103.556 ± 0.007°
• Cell volume: 4200 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No