Crystallography Open Database

Information card for entry 7052578

Preview

Coordinates	7052578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 Ag3 N8 O8 S12 W3 Yb
Calculated formula	C24 H38 Ag3 N8 O8 S12 W3 Yb
Title of publication	Syntheses and NLO properties of 1D heterothiometallic anionic W/S/Ag clusters possessing solvento-ytterbium cation-directed isomeric skeletons
Authors of publication	Zhang, Jinfang; Meng, Suci; Song, Yinglin; Yang, Junyi; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	2
Pages of publication	328
a	12.873 ± 0.003 Å
b	27.479 ± 0.005 Å
c	19.866 ± 0.006 Å
α	90°
β	126.04 ± 0.02°
γ	90°
Cell volume	5682 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.182
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.219
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180079 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25.	7052578.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052578.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052578.cif
14958	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 7052576, 7052577, 7052578, 7052579 via cif-deposit CGI script.	7052578.cif