Crystallography Open Database

Information card for entry 7203851

7203850 << 7203851 >> 7203852

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Coordinates	7203851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 Au2 S6 W2
Calculated formula	C20 H30 Au2 S6 W2
Title of publication	Synthesis, crystal structure and third-order nonlinear optical (NLO) properties of a novel tetranuclear organometallic cluster [(?5?C5Me5)WS3Au]2
Authors of publication	Lang, Jian-Ping; Yu, Hong; Ji, Shun-Jun; Sun, Zhen-Rong
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2003
Journal volume	5
Journal issue	22
Pages of publication	5127
a	17.123 ± 0.004 Å
b	9.373 ± 0.003 Å
c	18.019 ± 0.004 Å
α	90°
β	107.43 ± 0.02°
γ	90°
Cell volume	2759.2 ± 1.3 Å³
Cell temperature	296.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0514
Goodness-of-fit parameter for all reflections included in the refinement	1.552
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7203851.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203851.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203851.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7203851.cif