Crystallography Open Database

Information card for entry 1549955

Preview

Coordinates	1549955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.25 H73.25 Au Cl6 Sb5
Calculated formula	C85.202 H73.335 Au Cl5.9335 Sb4.9335
SMILES	[Au]([Sb](c1ccccc1)(c1ccccc1)c1ccccc1)([Sb](c1ccccc1)(c1ccccc1)c1ccccc1)([Sb](c1ccccc1)(c1ccccc1)c1ccccc1)[Sb](c1ccccc1)(c1ccccc1)c1ccccc1.[Sb](Cl)(Cl)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
Title of publication	Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.
Authors of publication	Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	46
Pages of publication	8723 - 8730
a	18.6854 ± 0.0003 Å
b	14.9411 ± 0.0003 Å
c	28.657 ± 0.0005 Å
α	90°
β	97.503 ± 0.001°
γ	90°
Cell volume	7932 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1416
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
228752 (current)	2019-11-17	cif/ Updating files of 1549953, 1549954, 1549955, 1549956, 1549957 Original log message: Adding full bibliography for 1549953--1549957.cif.	1549955.cif
211030	2018-09-18	cif/ Adding structures of 1549953, 1549954, 1549955, 1549956, 1549957 via cif-deposit CGI script.	1549955.cif