Crystallography Open Database

Information card for entry 4131761

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Coordinates	4131761.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
241929 (current)	2019-11-25	cif/ Adding structures of 4131761 via cif-deposit CGI script.	4131761.cif