Crystallography Open Database

Information card for entry 8000446

Preview

Coordinates	8000446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 Ag5.26 Au24.74 S18
Calculated formula	C60 Ag5.27 Au24.73 S18
Title of publication	Crystal Structure of Au<sub>30-<i>x</i></sub>Ag<sub> <i>x</i> </sub>(S-<i>t</i>Bu)<sub>18</sub> and Effect of the Ligand on Ag Alloying in Gold Nanomolecules.
Authors of publication	Wijesinghe, Kalpani Hirunika; Sakthivel, Naga Arjun; Jones, Tanya; Dass, Amala
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Pages of publication	6312 - 6319
a	25.1222 ± 0.001 Å
b	14.9693 ± 0.0006 Å
c	40.2014 ± 0.0019 Å
α	90°
β	99.435 ± 0.003°
γ	90°
Cell volume	14913.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1518
Residual factor for significantly intense reflections	0.1176
Weighted residual factors for significantly intense reflections	0.2819
Weighted residual factors for all reflections included in the refinement	0.3089
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.7293 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
254783 (current)	2020-08-04	cif/ Updating files of 8000446 Original log message: Adding full bibliography for 8000446.cif.	8000446.cif
254523	2020-07-24	cif/ Adding structures of 8000446 via cif-deposit CGI script.	8000446.cif