Information card for entry 4131761

Structure parameters

• Formula: C456 H320 Ag78 F126 P12 S42
• Calculated formula: C456 H320 Ag78 F126 P12 S42
• SMILES: c1(ccc(cc1)C(F)(F)F)[S]12[Ag]345[Ag]6789[Ag]%10%11%12%13[Ag]%14%15%16[S]%17(c%18ccc(cc%18)C(F)(F)F)[Ag]%18[S]%19(c%20ccc(cc%20)C(F)(F)F)[Ag]%20%211[S]1([Ag]%22%23[P](c%24ccccc%24)(CCC[P]([Ag]%24%25[S]%26([Ag]%27%28%29%30[S](c%31ccc(cc%31)C(F)(F)F)[Ag]%31%32%33%34[S]%35(c%36ccc(cc%36)C(F)(F)F)[Ag]%36%37%38[P](c%39ccccc%39)(CCC[P]([Ag]%39%40[S]%41([Ag]%42%43[S]%44(c%45ccc(cc%45)C(F)(F)F)[Ag]%45[S]%46(c%47ccc(cc%47)C(F)(F)F)[Ag]%35%38[S]%36%39(c%35ccc(cc%35)C(F)(F)F)[Ag]%35%36%38[Ag]%39%47%48%49[Ag]%50%51%11%36[Ag]%11%36%32%45[Ag]%32%45%52[Ag]%53%15%11[Ag]%11%10%18%27[Ag]%10%53[Ag]%15%18%27%45[Ag]%45%53%54%55[Ag]%56%57%58[Ag]%59%60%61[S]%62%58([Ag]%58([P](c%63ccccc%63)(CCC[P]([Ag]%63%62[S]%62([Ag]%64%65[S]%66([Ag]%67%15[S]%56([Ag]%15%56%67[Ag]%67%68%69%18[Ag]%18%70%71%59[Ag]%59%72%73%74[Ag]%75%76%77[Ag]%78%79%13%47[Ag]%13%47[S]%16([Ag]%35([S]%37(c%16ccc(cc%16)C(F)(F)F)[Ag]%14%33%50)[S]%40([Ag]%14%41[P](CCC[P]([Ag]%16%33%35[S]%14(c%14ccc(cc%14)C(F)(F)F)([Ag]%43%38%39%51)[Ag]%35([S]%13(c%13ccc(cc%13)C(F)(F)F)[Ag]%12%19%47)[S]%33(c%12ccc(cc%12)C(F)(F)F)[Ag]%12%13%14%78[S](c%19ccc(cc%19)C(F)(F)F)[Ag]%19%33%35%73[S]%37([Ag]%38%39[P](c%40ccccc%40)(CCC[P]([Ag]%40%62[S]%63(c%41ccc(cc%41)C(F)(F)F)[Ag]%41%43%61[S]%47([Ag]%50%46[Ag]%46%49%36%59[Ag]%36%44%76([S]%44(c%49ccc(cc%49)C(F)(F)F)[Ag]%72%47%36[Ag]%65%71%43([S]%40(c%36ccc(cc%36)C(F)(F)F)[Ag]%33%37%39%44)[Ag]%27%60%70%46[Ag]%52%55%50([S]%31(c%27ccc(cc%27)C(F)(F)F)[Ag]%30%34%54[S]%45(c%27ccc(cc%27)C(F)(F)F)[Ag]%27%28%10%15[S]%24(c%10ccc(cc%10)C(F)(F)F)[Ag]%10%15[Ag]6%20([S]%22(c6ccc(cc6)C(F)(F)F)[Ag]%17%25%26%29)[Ag]9%11%68%27[Ag]67%21[Ag]79%11[S]%17([Ag]%20([S]%56%10c%10ccc(cc%10)C(F)(F)F)[Ag]%10%218%67[Ag]84%75%79[Ag]%32[Ag]%74%77%108[Ag]%18%19([S]%64%38c4ccc(cc4)C(F)(F)F)([S]4(c8ccc(cc8)C(F)(F)F)[Ag]5%11%21([S]7([Ag]52[P](c2ccccc2)(CCC[P]([Ag]1([S]695c1ccc(cc1)C(F)(F)F)[S]%23%15c1ccc(cc1)C(F)(F)F)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)C(F)(F)F)[Ag]%14%354[S]3%12c1ccc(C(F)(F)F)cc1)[Ag]%66%69%17%20)c1ccc(cc1)C(F)(F)F)[S]%58%41c1ccc(cc1)C(F)(F)F)[Ag]%48%13[S]%42%16c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)C(F)(F)F)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(c1ccccc1)c1ccccc1)c1ccccc1)[S]%53%57c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)C(F)(F)F)(c1ccccc1)c1ccccc1)c1ccccc1)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: 43.0185 ± 0.001 Å
• b: 48.2191 ± 0.0013 Å
• c: 30.0392 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 62311 ± 3 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No