Crystallography Open Database

Information card for entry 1540380

Preview

Coordinates	1540380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H153 Ag3 Au15 O2 S14
Calculated formula	C84 H161 Ag3 Au15 O4 S14
SMILES	[Ag]12345[Ag]6789[Ag]%10%11%12%131[Au]1%14%152[Au]2([Au]%167%10%14[Au]361([S]2C1CCCCC1)[S]([Au][S]([Au]12[Au]38%11([Au]6([Au]([Au]4%1223[S]([Au][S]%15C2CCCCC2)C2CCCCC2)([S]([Au]1[S]5C1CCCCC1)C1CCCCC1)[S]6C1CCCCC1)[S]([Au][S]9C1CCCCC1)C1CCCCC1)[S]([Au][S]%16C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]([Au][S]%13C1CCCCC1)C1CCCCC1.O.O.O.O
Title of publication	X-Ray crystal structure, and optical and electrochemical properties of the Au15Ag3(SC6H11)14 nanocluster with a core-shell structure.
Authors of publication	Xiang, Ji; Li, Peng; Song, Yongbo; Liu, Xia; Chong, Hanbao; Jin, Shan; Pei, Yong; Yuan, Xiaoyou; Zhu, Manzhou
Journal of publication	Nanoscale
Year of publication	2015
Journal volume	7
Journal issue	43
Pages of publication	18278 - 18283
a	24.9951 ± 0.0016 Å
b	18.5586 ± 0.0012 Å
c	51.826 ± 0.005 Å
α	90°
β	90.478 ± 0.001°
γ	90°
Cell volume	24040 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1948
Residual factor for significantly intense reflections	0.1342
Weighted residual factors for significantly intense reflections	0.2506
Weighted residual factors for all reflections included in the refinement	0.2715
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171294 (current)	2015-12-09	cif/ Updating files of 1540380 Original log message: Adding full bibliography for 1540380.cif.	1540380.cif
169664	2015-10-22	cif/ Adding structures of 1540380 via cif-deposit CGI script.	1540380.cif