Crystallography Open Database

Information card for entry 4312177

Preview

Coordinates	4312177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H31 N O12 S24 Sb2
Calculated formula	C40 H31 N O12 S24 Sb2
Title of publication	A Chiral Molecular Conductor: Synthesis, Structure, and Physical Properties of [ET]3[Sb2(l-tart)2].CH3CN (ET = Bis(ethylendithio)tetrathiafulvalene; l-tart = (2R,3R)-(+)-Tartrate)
Authors of publication	Eugenio Coronado; José R. Galán-Mascarós; Carlos J. Gómez-García; Ana Murcia-Martínez; Enric Canadell
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8072 - 8077
a	11.145 ± 0.002 Å
b	12.848 ± 0.002 Å
c	40.159 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5750.4 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
179160 (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 4/31/21.	4312177.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312177.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312177.cif
3682	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312177 via cif-deposit CGI script.	4312177.cif