Crystallography Open Database

Information card for entry 4335467

Preview

Coordinates	4335467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54.5 F6 N6 O9.75 P Ru2
Calculated formula	C36 H54 F6 N6 O9.75 P Ru2
Title of publication	Binuclear Ruthenium Complexes of a Neutral Radical Bridging Ligand. A New "Spin" on Mixed Valency
Authors of publication	Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8053 - 8066
a	14.0376 ± 0.0005 Å
b	22.8405 ± 0.0011 Å
c	15.5075 ± 0.0007 Å
α	90°
β	114.362 ± 0.002°
γ	90°
Cell volume	4529.4 ± 0.3 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	0.0797
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4335467.cif
101397	2014-02-13	cif/ Adding structures of 4335467 via cif-deposit CGI script.	4335467.cif