Crystallography Open Database

Information card for entry 4314882

Preview

Coordinates	4314882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.54 H24.31 F12 N6.77 O P2 Ru S2
Calculated formula	C34.512 H24.268 F12 N6.756 O P2 Ru S2
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	8.928 ± 0.003 Å
b	12.162 ± 0.004 Å
c	17.426 ± 0.005 Å
α	89.738 ± 0.004°
β	86.754 ± 0.004°
γ	83.664 ± 0.004°
Cell volume	1877.6 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
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.	4314882.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314882.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314882.cif
8025	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314882 via cif-deposit CGI script.	4314882.cif