Crystallography Open Database

Information card for entry 1571781

Preview

Coordinates	1571781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H120 Au2 Cu6 P2 S6
Calculated formula	C96 H120 Au2 Cu6 P2 S6
Title of publication	Rethinking the stability of metal nanoclusters: the individual <i>versus</i> the collective.
Authors of publication	Zhang, Di; Pan, Peiyao; Du, Xiaoqin; Kang, Xi; Zhu, Manzhou
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	24
Pages of publication	11513 - 11517
a	21.0039 ± 0.0006 Å
b	21.0039 ± 0.0006 Å
c	18.0081 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	6880.2 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293175 (current)	2024-07-05	cif/ Updating files of 1571780, 1571781 Original log message: Adding full bibliography for 1571780--1571781.cif.	1571781.cif
292213	2024-06-06	cif/ Adding structures of 1571780, 1571781 via cif-deposit CGI script.	1571781.cif