Crystallography Open Database

Information card for entry 4131762

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Coordinates	4131762.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
241930 (current)	2019-11-25	cif/ Adding structures of 4131762 via cif-deposit CGI script.	4131762.cif