Crystallography Open Database

Information card for entry 7228351

Preview

Coordinates	7228351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H118 Au2 Cl12 Cu6 F6 P S
Calculated formula	C98 H118 Au2 Cl4 Cu6 F6 P2 S6
SMILES	[P]([Au]1234[Cu]5678[S](C9%10CC%11CC(C%10)CC(C9)C%11)[Cu]916[S](C16CC%10CC(C6)CC(C1)C%10)[Cu]129[S](C26CC9CC(C6)CC(C2)C9)[Cu]2641[S](C14CC9CC(CC(C1)C9)C4)[Cu]146[S](C69CC%10CC(C9)CC(C6)C%10)[Cu]84([S]5C45CC6CC(C5)CC(C4)C6)[Au]3721[P](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F)(c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F.C(Cl)Cl.C(Cl)Cl
Title of publication	Modulating photo-luminescence of Au2Cu6 nanoclusters via ligand-engineering
Authors of publication	Kang, Xi; Li, Xiaowu; Yu, Haizhu; Lv, Ying; Sun, Guodong; Li, Yangfeng; Wang, Shuxin; Zhu, Manzhou
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	46
Pages of publication	28606
a	13.565 ± 0.0005 Å
b	15.697 ± 0.0006 Å
c	15.8108 ± 0.0006 Å
α	111.329 ± 0.002°
β	98.629 ± 0.002°
γ	114.913 ± 0.002°
Cell volume	2654.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
197131 (current)	2017-06-01	cif/ Adding structures of 7228351, 7228352 via cif-deposit CGI script.	7228351.cif