Crystallography Open Database

Information card for entry 8000448

Preview

Coordinates	8000448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H162 Ag2.68 Au27.31 S18
Calculated formula	C72 H162 Ag2.68 Au27.32 S18
Title of publication	Heteroatom Tracing Reveals the 30-Atom Au-Ag Bimetallic Nanocluster as a Dimeric Structure.
Authors of publication	Li, Yingwei; Taylor, Michael G.; Luo, Tian-Yi; Song, Yongbo; Rosi, Nathaniel L.; Mpourmpakis, Giannis; Jin, Rongchao
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Journal volume	11
Journal issue	17
Pages of publication	7307 - 7312
a	15.2662 ± 0.0005 Å
b	51.5233 ± 0.0015 Å
c	17.4781 ± 0.0005 Å
α	90°
β	90.777 ± 0.002°
γ	90°
Cell volume	13746.4 ± 0.7 Å³
Cell temperature	230 K
Ambient diffraction temperature	230 K
Number of distinct elements	5
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	0.1152
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
255878 (current)	2020-09-04	cif/ Updating files of 8000448 Original log message: Adding full bibliography for 8000448.cif.	8000448.cif
255564	2020-08-22	cif/ Adding structures of 8000448 via cif-deposit CGI script.	8000448.cif