Crystallography Open Database

Information card for entry 4314880

Preview

Coordinates	4314880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H11 Cl3 N2 S6
Calculated formula	C19 H11 Cl3 N2 S6
Title of publication	TTF-Annulated Phenanthroline and Unexpected Oxidative Cleavage of the C=C Bond in Its Ruthenium(II) Complex
Authors of publication	Lawrence K. Keniley; Lipika Ray; Kirill Kovnir; Logan A. Dellinger; Jordan M. Hoyt; Michael Shatruk
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1307 - 1309
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
179228 (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 4/31/48.	4314880.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314880.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314880.cif
8023	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314880 via cif-deposit CGI script.	4314880.cif