Crystallography Open Database

Information card for entry 4514366

Preview

Coordinates	4514366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H94 Ag4 F9 N24 O22 S6
Calculated formula	C78 H82.995 Ag4 F9 N24 O21.99 S6
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	35.2177 ± 0.0018 Å
b	35.2177 ± 0.0018 Å
c	35.2177 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	43680 ± 4 Å³
Cell temperature	165 ± 2 K
Ambient diffraction temperature	165 ± 2 K
Number of distinct elements	7
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.2813
Residual factor for significantly intense reflections	0.0994
Weighted residual factors for significantly intense reflections	0.1962
Weighted residual factors for all reflections included in the refinement	0.2277
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	4514366.cif
205448	2018-01-23	cif/ Adding structures of 4514366 via cif-deposit CGI script.	4514366.cif