Crystallography Open Database

Information card for entry 4129383

Preview

Coordinates	4129383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H73 Ag4 Au4 B5 F20 N14 O P4
Calculated formula	C79 H52 Ag4 Au4 B5 F20 N14 O P4
Title of publication	Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.
Authors of publication	Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	16
Pages of publication	5520 - 5525
a	22.5062 ± 0.0003 Å
b	22.5062 ± 0.0003 Å
c	11.0208 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5582.4 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	9
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.1183
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.1896
Weighted residual factors for all reflections included in the refinement	0.2089
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
240108 (current)	2019-11-25	cif/ Adding structures of 4129383, 4129384, 4129385, 4129386, 4129387, 4129388, 4129389, 4129390, 4129391, 4129392, 4129393, 4129394 via cif-deposit CGI script.	4129383.cif