Crystallography Open Database

Information card for entry 7008347

Preview

Coordinates	7008347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H46 N2 O P2 Ru S
Calculated formula	C49 H46 N2 O P2 Ru S
SMILES	[Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Sc2[n]1ccn2C)(C#[O])/C=C/C1=CCCCC1
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	21.805 ± 0.004 Å
b	17.42 ± 0.003 Å
c	24.246 ± 0.005 Å
α	90°
β	114.296 ± 0.003°
γ	90°
Cell volume	8394 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0648
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7008347.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008347.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008347.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008347.cif