Crystallography Open Database

Information card for entry 4076851

Preview

Coordinates	4076851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 Cl2 N2 P2 Ru
Calculated formula	C42 H43 Cl2 N2 P2 Ru
SMILES	[Ru]12(Cl)([P](CCN1Cc1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[P](c1ccccc1)(c1ccccc1)CC[NH]2Cc1ccccc1
Title of publication	Coordination Chemistry and Catalytic Activity of Ruthenium Complexes of Terdentate Phosphorus−Nitrogen−Phosphorus (PNP) and Bidentate Phosphorus−Nitrogen (PNH) Ligands
Authors of publication	Rahman, Mohammed S.; Prince, Paul D.; Steed, Jonathan W.; Hii, King Kuok (Mimi)
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	23
Pages of publication	4927
a	10.9686 ± 0.0006 Å
b	12.1947 ± 0.0008 Å
c	16.7431 ± 0.0011 Å
α	97.173 ± 0.004°
β	107.402 ± 0.004°
γ	110.999 ± 0.004°
Cell volume	1926.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1333
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
178657 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/68.	4076851.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076851.cif
54088	2012-04-20	cif/ Adding structures of 4076848, 4076849, 4076850, 4076851 via cif-deposit CGI script.	4076851.cif