Crystallography Open Database

Information card for entry 4335461

Preview

Coordinates	4335461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H11 Cl3 N2 S6
Calculated formula	C19 H11 Cl3 N2 S6
Title of publication	Complexes with Redox-Active Ligands: Synthesis, Structure, and Electrochemical and Photophysical Behavior of the Ru(II) Complex with TTF-Annulated Phenanthroline
Authors of publication	Lawrence K. Keniley Jr.; Nathalie Dupont; Lipika Ray; Jie Ding; Kirill Kovnir; Jordan M. Hoyt; Andreas Hauser; Michael Shatruk
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8040 - 8052
a	7.1272 ± 0.0012 Å
b	17.269 ± 0.003 Å
c	18.462 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2272.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.1359
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335461.cif
101390	2014-02-13	cif/ Adding structures of 4335461 via cif-deposit CGI script.	4335461.cif