Crystallography Open Database

Information card for entry 4131829

Preview

Coordinates	4131829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H176 Au21.34 Cu1.66 N S16
Calculated formula	C112 H176 Au21.341 Cu1.659 N S16
Title of publication	Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping.
Authors of publication	Li, Qi; Lambright, Kelly J.; Taylor, Michael G.; Kirschbaum, Kristin; Luo, Tian-Yi; Zhao, Jianbo; Mpourmpakis, Giannis; Mokashi-Punekar, Soumitra; Rosi, Nathaniel L.; Jin, Rongchao
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	49
Pages of publication	17779 - 17782
a	33.0713 ± 0.0012 Å
b	63.499 ± 0.003 Å
c	32.3807 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	67999 ± 5 Å³
Cell temperature	230.01 K
Ambient diffraction temperature	230.01 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1072
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.1974
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241964 (current)	2019-11-25	cif/ Adding structures of 4131829 via cif-deposit CGI script.	4131829.cif