Crystallography Open Database

Information card for entry 7228352

Preview

Coordinates	7228352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H120 Au2 Cu6 P2 S6
Calculated formula	C96 H120 Au2 Cu6 P2 S6
SMILES	C12(CC3CC(CC(C2)C3)C1)[S]1[Cu]2345[Au]678([P](c9ccccc9)(c9ccccc9)c9ccccc9)[Cu]9%10%11[S](C%12%13CC%14CC(CC(C%13)C%14)C%12)[Cu]%12%138%10[S](C8%10CC%14CC(CC(C%10)C%14)C8)[Cu]86%12[S](C6%10CC%12CC(CC(C%10)C%12)C6)[Cu]48([S]2C24CC6CC(CC(C4)C6)C2)[Au]37%13([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Cu]15%11[S]9C12CC3CC(CC(C2)C3)C1
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	20.9938 ± 0.0007 Å
b	20.9938 ± 0.0007 Å
c	18.1449 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	6925.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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.	7228352.cif