Crystallography Open Database

Information card for entry 4077627

Preview

Coordinates	4077627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H38 N2 O8 S6 W
Calculated formula	C23 H18 N2 O8 S6 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	9.278 ± 0.003 Å
b	13.794 ± 0.004 Å
c	14.174 ± 0.002 Å
α	71.82 ± 0.03°
β	76.68 ± 0.02°
γ	78.16 ± 0.03°
Cell volume	1659.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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 all reflections	0.0362
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178665 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/76.	4077627.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077627.cif
54646	2012-04-28	cif/ Adding structures of 4077626, 4077627 via cif-deposit CGI script.	4077627.cif