Crystallography Open Database

Information card for entry 1518029

Preview

Coordinates	1518029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C125 H95 Au25 N Se19
Calculated formula	C119 H90 Au25 N Se18
Title of publication	Crystal structure of Au25(SePh)18 nanoclusters and insights into their electronic, optical and catalytic properties.
Authors of publication	Song, Yongbo; Zhong, Juan; Yang, Sha; Wang, Shuxin; Cao, Tiantian; Zhang, Jun; Li, Peng; Hu, Daqiao; Pei, Yong; Zhu, Manzhou
Journal of publication	Nanoscale
Year of publication	2014
Journal volume	6
Journal issue	22
Pages of publication	13977 - 13985
a	16.751 ± 0.005 Å
b	16.92 ± 0.005 Å
c	17.211 ± 0.005 Å
α	73.79 ± 0.004°
β	77.398 ± 0.004°
γ	62.104 ± 0.003°
Cell volume	4118 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1233
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1897
Weighted residual factors for all reflections included in the refinement	0.2208
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518029.cif
126507	2014-11-06	cif/ Updating files of 1518029 Original log message: Adding full bibliography for 1518029.cif.	1518029.cif
125448	2014-10-16	cif/ Adding structures of 1518029 via cif-deposit CGI script.	1518029.cif