Information card for entry 1546361

Structure parameters

• Formula: C168 H202 Ag24 P2 Pd S18
• Calculated formula: C192 H179 Ag24 P2 Pd S18
• SMILES: [Ag]1234567[Ag]89%10%11%12[Ag]%13%14%15%16%17[Ag]%18%19%20%21%22[Ag]%23%24%25%26%27[Ag]%28%29%30%31[Ag]%32%33%3418[Ag]1%14%19%29([Ag]8([Ag]%10([S]8c8ccc(cc8C)C)[S]%34c8ccc(cc8C)C)[S]%17c8ccc(cc8C)C)([Ag]%20([S]([Ag][S]%27c8ccc(cc8C)C)c8ccc(cc8C)C)[S]1c1ccc(cc1C)C)[Pd]18%106%11%16%21%26%30%33[Ag]6%112%23%28[Ag]2%144%10[Ag]4%18%241([Ag]39%1382([Ag]([S]([Ag]5([S]%12c1ccc(cc1C)C)[S]7([Ag]1%32[Ag]6([S]1c1ccc(cc1C)C)[S]%31c1ccc(cc1C)C)c1ccc(cc1C)C)c1ccc(cc1C)C)[S]%14c1ccc(cc1C)C)[S]([Ag]4[S]([Ag]%15[S]%22c1ccc(cc1C)C)c1ccc(cc1C)C)c1ccc(cc1C)C)[S]([Ag][S]([Ag]%25[S]%11c1ccc(cc1C)C)c1ccc(cc1C)C)c1ccc(cc1C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal and Solution Photoluminescence of MAg24(SR)18 (M = Ag/Pd/Pt/Au) Nanoclusters and Some Implications for the Photoluminescence Mechanisms
• Authors of publication: Liu, Xu; Yuan, Jinyun; Yao, Chuanhao; Chen, Jishi; Li, Lingling; Bao, Xiaoli; Yang, Jinlong; Wu, Zhikun
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2017
• Journal volume: 121
• Journal issue: 25
• Pages of publication: 13848
• a: 19.5843 ± 0.001 Å
• b: 20.1047 ± 0.001 Å
• c: 31.3508 ± 0.0018 Å
• α: 84.483 ± 0.003°
• β: 72.593 ± 0.003°
• γ: 63.99 ± 0.002°
• Cell volume: 10576.8 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.168
• Residual factor for significantly intense reflections: 0.1465
• Weighted residual factors for significantly intense reflections: 0.4139
• Weighted residual factors for all reflections included in the refinement: 0.4417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.861
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No