Crystallography Open Database

Information card for entry 4129385

Preview

Coordinates	4129385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H149 Ag8 Au8 B10 Cl0 F40 N25 O4 P8
Calculated formula	C164 H118 Ag8 Au8 B8 F32 N25 O4 P8
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	22.0485 ± 0.0003 Å
b	32.5162 ± 0.0004 Å
c	28.0735 ± 0.0004 Å
α	90°
β	97.359 ± 0.001°
γ	90°
Cell volume	19961 ± 0.5 Å³
Cell temperature	172.95 ± 0.1 K
Ambient diffraction temperature	172.95 ± 0.1 K
Number of distinct elements	10
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	0.1072
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2173
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
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.	4129385.cif