Crystallography Open Database

Information card for entry 4089305

Preview

Coordinates	4089305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 F12 N8 O4 P2 Ru2
Calculated formula	C32 H28 F12 N8 O4 P2 Ru2
SMILES	c1cccc2c3cccc[n]3[Ru]([n]12)([N]#CC)(C#[O])(C#[O])[Ru]1([n]2ccccc2c2cccc[n]12)([N]#CC)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-].N#CC.[P](F)(F)(F)(F)(F)[F-].N#CC
Title of publication	Synthesis, Structure, and Physicochemical Characterizations of a New Cationic Ruthenium(I)−Ruthenium(I) Tetracarbonyl Bipyridine Dimer Precursor for the Electrochemical Synthesis of an Organometallic Ruthenium(0) Polymer
Authors of publication	Chardon-Noblat, Sylvie; Cripps, Garth H.; Deronzier, Alain; Field, John S.; Gouws, Shawn; Haines, Raymond J.; Southway, Florence
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	8
Pages of publication	1668
a	15.259 ± 0.004 Å
b	17.754 ± 0.004 Å
c	15.937 ± 0.003 Å
α	90°
β	104.149 ± 0.017°
γ	90°
Cell volume	4186.5 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1831
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243606 (current)	2019-11-26	cif/ Adding structures of 4089305 via cif-deposit CGI script.	4089305.cif