Crystallography Open Database

Information card for entry 4514368

Preview

Coordinates	4514368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H162 Ag8 F0 N60 O18 S13
Calculated formula	C120 H129.96 Ag8 N60 O18.02 S13
Title of publication	Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines
Authors of publication	Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	2
Pages of publication	1384
a	35.835 ± 0.011 Å
b	35.835 ± 0.011 Å
c	35.835 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	46017 ± 2 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	7
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.2806
Residual factor for significantly intense reflections	0.0985
Weighted residual factors for significantly intense reflections	0.2249
Weighted residual factors for all reflections included in the refinement	0.2409
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
206129 (current)	2018-02-04	cif/ Updating files of 4514366, 4514367, 4514368 Original log message: Adding full bibliography for 4514366--4514368.cif.	4514368.cif
205450	2018-01-23	cif/ Adding structures of 4514368 via cif-deposit CGI script.	4514368.cif