Crystallography Open Database

Information card for entry 4334111

Preview

Coordinates	4334111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.33333 H25 Cl F6 N5.66667 P Ru
Calculated formula	C23.3333 H25 Cl F6 N5.66667 P Ru
SMILES	[Ru](Cl)([N]#CC)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(#N)C.C(#N)C
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	13.5937 ± 0.0006 Å
b	17.2601 ± 0.0006 Å
c	19.777 ± 0.0007 Å
α	106.087 ± 0.003°
β	96.283 ± 0.003°
γ	91.359 ± 0.003°
Cell volume	4424.7 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
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.	4334111.cif
153466	2015-08-16	cif/4 Fixing some Z values and formulae	4334111.cif
99925	2014-02-04	cif/ Adding structures of 4334111 via cif-deposit CGI script.	4334111.cif