Crystallography Open Database

Information card for entry 4310082

Preview

Coordinates	4310082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 O2 S8
Calculated formula	C20 H27 O2 S8
Title of publication	Electroactive Ligands: The First Metal Complexes of Tetrathiafulvenyl-Acetylacetonate
Authors of publication	Julien Massue; Nathalie Bellec; Stéphanie Chopin; Eric Levillain; Thierry Roisnel; Rodolphe Clérac; Dominique Lorcy
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8740 - 8748
a	9.189 ± 0.005 Å
b	5.402 ± 0.005 Å
c	26.794 ± 0.005 Å
α	90°
β	95.307 ± 0.005°
γ	90°
Cell volume	1324.3 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179139 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/00.	4310082.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310082.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310082.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310082.cif