Crystallography Open Database

Information card for entry 4129386

Preview

Coordinates	4129386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H87 Ag4 Au4 B5 F20 N12 O6 P4
Calculated formula	C83 H64 Ag4 Au4 B5 F19 N12 O6 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	16.7483 ± 0.0009 Å
b	30.1857 ± 0.0016 Å
c	20.9139 ± 0.0009 Å
α	90°
β	96.654 ± 0.005°
γ	90°
Cell volume	10502 ± 0.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.16
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.1925
Weighted residual factors for all reflections included in the refinement	0.2457
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4129386.cif