Crystallography Open Database

Information card for entry 4077626

Preview

Coordinates	4077626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 N2 O8.5 S7 W
Calculated formula	C18 H24 N2 O9 S7 W
Title of publication	Transformations Leading to the Generation of Dithiolene Ligands Initiated by Reactions of Sulfur-Rich WS(S2)(S2CNR2)2Complexes with Dimethyl Acetylenedicarboxylate and Phenylacetylene
Authors of publication	Lim, Patrick J.; Cook, Vernon C.; Doonan, Christian J.; Young, Charles G.; Tiekink, Edward R. T.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	26
Pages of publication	5643
a	11.873 ± 0.004 Å
b	12.229 ± 0.009 Å
c	20.913 ± 0.003 Å
α	90°
β	93.68 ± 0.02°
γ	90°
Cell volume	3030 ± 2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0559
Goodness-of-fit parameter for significantly intense reflections	1.919
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4077626.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077626.cif
54646	2012-04-28	cif/ Adding structures of 4077626, 4077627 via cif-deposit CGI script.	4077626.cif