Crystallography Open Database

Information card for entry 4335463

Preview

Coordinates	4335463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.17 H36.75 F12 N9.58 P2 Ru S6
Calculated formula	C45.1667 H36.75 F12 N9.58333 P2 Ru 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	22.57 ± 0.02 Å
b	22.54 ± 0.02 Å
c	32.53 ± 0.03 Å
α	90°
β	92.074 ± 0.014°
γ	90°
Cell volume	16538 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.167
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1781
Weighted residual factors for all reflections included in the refinement	0.227
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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.	4335463.cif
101392	2014-02-13	cif/ Adding structures of 4335463 via cif-deposit CGI script.	4335463.cif