Information card for entry 4131762

Structure parameters

• Formula: C468 H348 Ag78 F126 P12 S42
• Calculated formula: C468 H348 Ag78 F126 P12 S42
• SMILES: c1cc(ccc1C(F)(F)F)[S]12[Ag]34[Ag]5678[Ag]9%10%11%12[S]7(c7ccc(cc7)C(F)(F)F)[Ag]7%13%14[Ag]%15%16%17%18[Ag]%19%20[S]%21([Ag]%22%23[S]%24([Ag]%25%26%27%23[S]%23([Ag]%28%29%30%31[S]%32([Ag]%33%34%35[S]%36(c%37ccc(cc%37)C(F)(F)F)[Ag]%37%38%39%30[S]%22([Ag]%22%38[S]%30(c%38ccc(cc%38)C(F)(F)F)[Ag]%38%407%15[S]7([Ag]%15%415[S]5([Ag]%42%34[Ag]%34%43%29%37[Ag]%29%37%44%45[Ag]%46%47%48%49[Ag]%50%51%52%53[Ag]%54%55%56[Ag]%57%58%59%16[Ag]%16%60%61%62[Ag]%63%64%65%66[Ag]%67%68%37[Ag]%37%28%29[Ag]%28%29%26%22[Ag]%17%39%38%34[Ag]%17%228([Ag]%367)[Ag]7%40%54%57[Ag][Ag]%50%55%177[Ag]78%49[S]%17(c%26ccc(cc%26)C(F)(F)F)[Ag]%26%34%45[S]%36([Ag]%38%39%47%26[S]%26(c%40ccc(cc%40)C(F)(F)F)[Ag]%40%45%47[S]%49([Ag]%50%54%68%39[S]%39([Ag]%55%25%23([S]%23([Ag]%25%57%27([S]%27([Ag]%68%69%20[S]%20(c%70ccc(cc%70)C(F)(F)F)[Ag]%70%71%60%57[S]%57([Ag]%60%72%73%74[S]%75([Ag]%76%77%47%73[Ag]%47%73%45[Ag]%45%78%79([Ag]%809%51([Ag]9%51%81[S]%82(c%83ccc(cc%83)C(F)(F)F)[Ag]([S]%83([Ag]%75([P](c%75ccccc%75)(c%75ccccc%75)[C@@H](C)C[C@@H]([P](c%75ccccc%75)(c%75ccccc%75)[Ag]%49%74[S]%60([Ag]%65%54%55%23%72)c%23ccc(cc%23)C(F)(F)F)C)[S]%40(c%23ccc(cc%23)C(F)(F)F)[Ag]%83[P](c%23ccccc%23)([C@@H](C)C[C@H](C)[P](c%23ccccc%23)(c%23ccccc%23)[Ag]%79%82([S]%47%45c%23ccc(cc%23)C(F)(F)F)[S]%78%80c%23ccc(cc%23)C(F)(F)F)c%23ccccc%23)c%23ccc(cc%23)C(F)(F)F)[S](c%23ccc(cc%23)C(F)(F)F)([Ag]%66%71%57%76)[Ag]%56%62%81([S]([Ag]%23%40%45%47[Ag]%10%13%58([S]%45(c%10ccc(cc%10)C(F)(F)F)[Ag]%10%13%47[P]([C@H](C[C@@H]([P]([Ag]%45[S]([Ag]%30([Ag]%19%69%23([S]%40%10c%10ccc(cc%10)C(F)(F)F)[Ag]%18%16%29%25%70)[S]%14%13c%10ccc(cc%10)C(F)(F)F)(c%10ccc(cc%10)C(F)(F)F)[Ag]%21([P](c%10ccccc%10)(c%10ccccc%10)[C@@H](C)C[C@@H]([P](c%10ccccc%10)(c%10ccccc%10)[Ag]%24%27)C)[S]%68%45c%10ccc(cc%10)C(F)(F)F)(c%10ccccc%10)c%10ccccc%10)C)C)(c%10ccccc%10)c%10ccccc%10)[S]%129c9ccc(cc9)C(F)(F)F)(c9ccc(cc9)C(F)(F)F)[Ag]%59%20)[Ag]%52%61%77%51[Ag]%46%64%38%50%73)[S]3%11c3ccc(cc3)C(F)(F)F)[S]7(c3ccc(cc3)C(F)(F)F)[Ag]%53%26)c3ccc(cc3)C(F)(F)F)c3ccc(cc3)C(F)(F)F)c3ccc(cc3)C(F)(F)F)[Ag]%63%67%37%28)c3ccc(cc3)C(F)(F)F)[Ag]3%31%44%39[S]7([Ag]9%32[P]([C@H](C[C@@H]([P](c%10ccccc%10)(c%10ccccc%10)[Ag]%10([S]%33(c%11ccc(cc%11)C(F)(F)F)[Ag]([P](c%11ccccc%11)([C@@H](C)C[C@H](C)[P](c%11ccccc%11)(c%11ccccc%11)[Ag]1%415[S]6%15c1ccc(cc1)C(F)(F)F)c1ccccc1)[S]%10([Ag]2%17)c1ccc(cc1)C(F)(F)F)[S]1([Ag]%36379[Ag]%35%42%341[Ag]4%43%48%228)c1ccc(cc1)C(F)(F)F)C)C)(c1ccccc1)c1ccccc1)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)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)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: 51.7906 ± 0.0004 Å
• b: 51.7906 ± 0.0004 Å
• c: 51.7906 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 138916 ± 1.9 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 119.99 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0902
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No