Crystallography Open Database

Information card for entry 4064681

Preview

Coordinates	4064681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 S4 Si
Calculated formula	C14 H18 S4 Si
Title of publication	Electronically Coupled Tetrathiafulvalene Electrophores across a Non-innocent Acetylide‒Ruthenium Bridge
Authors of publication	Vacher, Antoine; Barrière, Frédéric; Roisnel, Thierry; Piekara-Sady, Lidia; Lorcy, Dominique
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	13
Pages of publication	3570
a	6.6734 ± 0.0002 Å
b	5.9293 ± 0.0002 Å
c	22.1276 ± 0.0007 Å
α	90°
β	95.854 ± 0.003°
γ	90°
Cell volume	870.99 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0297
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
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
178540 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/46.	4064681.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064681.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064681.cif
33000	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064681, 4064682, 4064683 via cif-deposit CGI script.	4064681.cif