Crystallography Open Database

Information card for entry 7204605

7204604 << 7204605 >> 7204606

Preview

Coordinates	7204605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 Cl O4 S5
Calculated formula	C9 H8 Cl O4 S5
Title of publication	Linearly extended tetrathiafulvalene analogues with fused thiophene units as π-conjugated spacers
Authors of publication	Philippe Leriche; Jean-Manuel Raimundo; Mathieu Turbiez; Vincent Monroche; Magali Allain; François-Xavier Sauvage; Jean Roncali; Pierre Frère; Peter J. Skabara
Journal of publication	J. Mater. Chem.
Year of publication	2003
Journal volume	13
Journal issue	6
Pages of publication	1324 - 1332
a	20.223 ± 0.002 Å
b	7.0107 ± 0.0005 Å
c	19.581 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2776.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	0.798
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7204605.cif
180377	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/46.	7204605.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204605.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204605.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204605.cif