Crystallography Open Database

Information card for entry 7052577

Preview

Coordinates	7052577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H90 Ag6 O15 S39 W6 Yb2
Calculated formula	C30 H78 Ag6 O15 S39 W6 Yb2
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	15.409 ± 0.003 Å
b	18.605 ± 0.004 Å
c	18.404 ± 0.004 Å
α	90°
β	102.37 ± 0.03°
γ	90°
Cell volume	5154 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0452
Weighted residual factors for all reflections included in the refinement	0.0456
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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.	7052577.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052577.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052577.cif
14958	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 7052576, 7052577, 7052578, 7052579 via cif-deposit CGI script.	7052577.cif