Information card for entry 4131760

Structure parameters

• Formula: C468 Ag78 F126 P12 S42
• Calculated formula: C468 Ag78 F126 P12 S42
• SMILES: c1cc(ccc1C(F)(F)F)[S]12[Ag]3456[Ag]789%10[S]%11(c%12ccc(cc%12)C(F)(F)F)[Ag]%12%138[S]8([Ag]%14%15%16[Ag]%17%18[S]%19(c%20ccc(cc%20)C(F)(F)F)[Ag]%2017[Ag]17%21%22[S]%23([Ag]%24[S]%25([Ag]%26%27%28[S]%29([Ag]%30%31%32[S]%33(c%34ccc(cc%34)C(F)(F)F)[Ag]%34%35%36%37[Ag]%38%39%40%33[S]%33(c%41ccc(cc%41)C(F)(F)F)[Ag]%41%42%43%39[S]%39([Ag]%44%45%25[Ag]%25%46%30[Ag]%30%47%48%49[Ag]%50%51%52%31[Ag]%31%53%38([Ag]%38%547%44[Ag]7%44%55%24[Ag]%24%56%21%38[Ag]%21%38%57%10[Ag]%10%20%22%54[Ag]%20%14%42[S]%41([Ag]%14%22[P](c%41ccccc%41)([C@@H](C[C@H]([P](c%41ccccc%41)([Ag]%33%43[S]%33([Ag]%15%20([S]%22([Ag]([P]([C@@H](C[C@H]([P](c%15ccccc%15)(c%15ccccc%15)[Ag]%11%128%19)C)C)(c8ccccc8)c8ccccc8)[S]%18%14c8ccc(cc8)C(F)(F)F)c8ccc(cc8)C(F)(F)F)[S]8([Ag]%21[S]%13([Ag]%11%12%13%14[S]%15(c%18ccc(cc%18)C(F)(F)F)[Ag]%18%19%20[S]%21([Ag]%228%18[Ag]%16%31%10[Ag]8%40%33[S]%34(c%10ccc(cc%10)C(F)(F)F)[Ag]%10%16%18%36[Ag]%31%33%34[S]%36([Ag]%40%41%42[S]%43([Ag]%54[S]%58([Ag]%59%60%61%62[S]%63(c%64ccc(cc%64)C(F)(F)F)[Ag]%64%65%47[S]%47([Ag]%66%43%64[Ag]%43%64%33[Ag]%33%19%16([Ag]%16%38%11%22[Ag]%11%24%57%12[Ag]%12%19%22%54[Ag]%30%59%66([Ag]7%56%60%11%12)[Ag]7%25%44%61[Ag]%11%62([S]4(c4ccc(cc4)C(F)(F)F)[Ag]4%125%22[S]5(c%22ccc(cc%22)C(F)(F)F)[Ag]%22%24%58%12[S]%12([Ag]%25%42%64%22[Ag]%22%15[S]%15(c%30ccc(cc%30)C(F)(F)F)[Ag]%144([S]39c3ccc(cc3)C(F)(F)F)[Ag]%13%43%16%19[Ag]3%20%41%25[S]4([Ag]9%21%183[S]%10(c3ccc(cc3)C(F)(F)F)[Ag]%369[P](c3ccccc3)(c3ccccc3)[C@H](C)C[C@H]([P]([Ag]34[S]%22(c4ccc(cc4)C(F)(F)F)[Ag]([P]([C@@H](C[C@H]([P](c4ccccc4)(c4ccccc4)[Ag]5%24%12%15)C)C)(c4ccccc4)c4ccccc4)[S]%403c3ccc(cc3)C(F)(F)F)(c3ccccc3)c3ccccc3)C)c3ccc(cc3)C(F)(F)F)c3ccc(cc3)C(F)(F)F)[S]3(c4ccc(cc4)C(F)(F)F)[Ag]4%63[S]5(c9ccc(cc9)C(F)(F)F)[Ag]9[P]([C@@H](C[C@H]([P](c%10ccccc%10)(c%10ccccc%10)[Ag]%10%123[S]3(c%13ccc(cc%13)C(F)(F)F)[Ag]26%55%11[Ag]2%23%123[S]%10([Ag]%28%4642[Ag]2%27%657[S]3([Ag]46%472[S](c2ccc(cc2)C(F)(F)F)([Ag]%32%37%494[S]%35%31c2ccc(cc2)C(F)(F)F)[Ag]%296[P](c2ccccc2)(c2ccccc2)[C@H](C)C[C@H]([P]([Ag]53[S]%269c2ccc(cc2)C(F)(F)F)(c2ccccc2)c2ccccc2)C)c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C)C)(c2ccccc2)c2ccccc2)[Ag]2%51%538[Ag]%50[Ag]%48%52%34%332)c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)c2ccccc2)C)C)c2ccccc2)c2ccc(cc2)C(F)(F)F)[Ag]%39%45[S]%171c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
• Title of publication: From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.
• Authors of publication: Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 45
• Pages of publication: 16113 - 16116
• a: 52.0957 ± 0.0008 Å
• b: 52.0957 ± 0.0008 Å
• c: 52.0957 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 141386 ± 4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.1594
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.2785
• Weighted residual factors for all reflections included in the refinement: 0.3434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No