Crystallography Open Database

Information card for entry 4070575

Preview

Coordinates	4070575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N4 S4
Calculated formula	C20 H16 N4 S4
SMILES	S1C(SC(=C1SCCC#N)SCCC#N)=C(c1ccccn1)c1ncccc1
Title of publication	Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units
Authors of publication	Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	1
Pages of publication	126
a	5.195 ± 0.005 Å
b	9.58 ± 0.009 Å
c	41.29 ± 0.04 Å
α	90°
β	90 ± 0.018°
γ	90°
Cell volume	2055 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.2298
Weighted residual factors for all reflections included in the refinement	0.243
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178594 (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 4/07/05.	4070575.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070575.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070575.cif
42571	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070575 via cif-deposit CGI script.	4070575.cif