Crystallography Open Database

Information card for entry 4120008

4120007 << 4120008 >> 4120009

Preview

Coordinates	4120008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H58 Au13 Cl10.5 Cu8 N12 O3 S12
Calculated formula	C65 H58 Au13 Cl10.5 Cu8 N12 O3 S12
Title of publication	Ligand-Stabilized Au13Cux (x= 2, 4, 8) Bimetallic Nanoclusters: Ligand Engineering to Control the Exposure of Metal Sites
Authors of publication	Huayan Yang; Yu Wang; Jing Lei; Lei Shi; Xiaohu Wu; Ville Mäkinen; Shuichao Lin; Zichao Tang; Jian He; Hannu Häkkinen; Lansun Zheng; Nanfeng Zheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	9568 - 9571
a	15.462 ± 0.003 Å
b	16.278 ± 0.003 Å
c	21.093 ± 0.004 Å
α	94.71 ± 0.03°
β	104.64 ± 0.03°
γ	90.33 ± 0.03°
Cell volume	5117.3 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1108
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1997
Weighted residual factors for all reflections included in the refinement	0.244
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4120008.cif
104879	2014-03-11	cif/ Adding structures of 4120008 via cif-deposit CGI script.	4120008.cif