Crystallography Open Database

Information card for entry 7010999

Preview

Coordinates	7010999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 O P S4 W
Calculated formula	C30 H31 O P S4 W
SMILES	[W](SCC1OCCCC1)(=S)(=S)=S.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Reactions of tetrathiotungstate and tetrathiomolybdate with substituted haloalkanes
Authors of publication	Lang, Jian-Ping; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	12
Pages of publication	2573
a	11.156 ± 0.006 Å
b	14.438 ± 0.003 Å
c	11.046 ± 0.004 Å
α	100.8 ± 0.02°
β	117.66 ± 0.03°
γ	85.52 ± 0.03°
Cell volume	1547.9 ± 1.1 Å³
Cell temperature	296.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for all reflections included in the refinement	0.0418
Goodness-of-fit parameter for all reflections included in the refinement	1.253
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.	7010999.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010999.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010999.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010999.cif