Crystallography Open Database

Information card for entry 4117302

Preview

Coordinates	4117302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77.32 H72 Ag5.29 F9.95 N24 O10.95 S3.32
Calculated formula	C77.317 H72 Ag5.291 F9.957 N24 O10.957 S3.317
Title of publication	Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within a Supramolecular Cage
Authors of publication	Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	824 - 827
a	13.612 ± 0.003 Å
b	38.593 ± 0.008 Å
c	17.636 ± 0.004 Å
α	90°
β	97.5 ± 0.03°
γ	90°
Cell volume	9185 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1334
Residual factor for significantly intense reflections	0.1143
Weighted residual factors for significantly intense reflections	0.272
Weighted residual factors for all reflections included in the refinement	0.2852
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
178944 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/73.	4117302.cif
74372	2013-02-26	cif/ Adding structures of 4117302 via cif-deposit CGI script.	4117302.cif