Crystallography Open Database

Information card for entry 7011001

Preview

Coordinates	7011001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 Mo O P S4
Calculated formula	C30 H31 Mo O P S4
SMILES	[Mo](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	11.123 ± 0.002 Å
b	14.434 ± 0.003 Å
c	11.027 ± 0.002 Å
α	100.77 ± 0.02°
β	117.49 ± 0.01°
γ	85.59 ± 0.02°
Cell volume	1542.7 ± 0.5 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	0.0413
Weighted residual factors for all reflections included in the refinement	0.0514
Goodness-of-fit parameter for all reflections included in the refinement	1.862
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.	7011001.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011001.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011001.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011001.cif