Crystallography Open Database

Information card for entry 4335464

Preview

Coordinates	4335464.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	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	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
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.	4335464.cif
101393	2014-02-13	cif/ Adding structures of 4335464 via cif-deposit CGI script.	4335464.cif