Crystallography Open Database

Information card for entry 4125392

Preview

Coordinates	4125392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C315 Ag63 Br F72 P8 S36
Calculated formula	C315 Ag63 Br0.9999 F72 P8 S36
Title of publication	Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes.
Authors of publication	Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	1
Pages of publication	31 - 34
a	25.2879 ± 0.0004 Å
b	25.2879 ± 0.0004 Å
c	114.758 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	63553.5 ± 1.8 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.152
Residual factor for significantly intense reflections	0.1246
Weighted residual factors for significantly intense reflections	0.3893
Weighted residual factors for all reflections included in the refinement	0.4101
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193464 (current)	2017-03-04	cif/ Updating files of 4125391, 4125392, 4125393 Original log message: Adding full bibliography for 4125391--4125393.cif.	4125392.cif
189621	2017-01-01	cif/ Adding structures of 4125392 via cif-deposit CGI script.	4125392.cif