Crystallography Open Database

Information card for entry 7008346

Preview

Coordinates	7008346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H48 Cl2 N2 P2 Ru S2
Calculated formula	C56 H48 Cl2 N2 P2 Ru S2
SMILES	[Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S]=c2n1ccn2C)(C#[S])/C(=C/c1ccccc1)c1ccccc1.ClCCl
Title of publication	Sigma-organyl complexes of ruthenium and osmium supported by a mixed-donor ligand.
Authors of publication	Wilton-Ely, James D E T; Honarkhah, Sanaz J.; Wang, Ming; Tocher, Derek A.; Slawin, Alexandra M. Z.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	11
Pages of publication	1930 - 1939
a	10.9391 ± 0.0007 Å
b	12.3109 ± 0.0007 Å
c	19.1341 ± 0.0011 Å
α	104.069 ± 0.001°
β	100.56 ± 0.001°
γ	97.95 ± 0.001°
Cell volume	2411.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0399
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179787 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/83.	7008346.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008346.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008346.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008346.cif