Crystallography Open Database

Information card for entry 4334113

Preview

Coordinates	4334113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H68 Cl2 F12 N14 O4 P2 Ru3
Calculated formula	C66 H68 Cl2 F12 N14 O4 P2 Ru3
SMILES	c1[n]([Ru](Cl)([N]#C[Ru](C#[N][Ru]([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)Cl)([n]2ccc(OC)cc2)([n]2ccc(OC)cc2)([n]2ccc(OC)cc2)[n]2ccc(OC)cc2)([n]2ccccc2)([n]2ccccc2)[n]2ccccc2)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Communication between Remote Moieties in Linear Ru-Ru-Ru Trimetallic Cyanide-Bridged Complexes
Authors of publication	German E. Pieslinger; Pablo Albores; Leonardo D. Slep; Benjamin J. Coe; Cliff J. Timpson; Luis M. Baraldo
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2906 - 2917
a	14.2119 ± 0.0004 Å
b	14.2119 ± 0.0004 Å
c	18.9069 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3818.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1614
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.2816
Weighted residual factors for all reflections included in the refinement	0.3071
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
179444 (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 4/33/41.	4334113.cif
99927	2014-02-04	cif/ Adding structures of 4334113 via cif-deposit CGI script.	4334113.cif