Crystallography Open Database

Information card for entry 4068808

Preview

Coordinates	4068808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H49 Cl N4 O2 Ru
Calculated formula	C44 H49 Cl N4 O2 Ru
Title of publication	Six-, Five-, and Four-Coordinate Ruthenium(II) Hydride Complexes Supported byN-Heterocyclic Carbene Ligands: Synthesis, Characterization, Fundamental Reactivity, and Catalytic Hydrogenation of Olefins, Aldehydes, and Ketones
Authors of publication	Lee, John P.; Ke, Zhuofeng; Ramírez, Magaly A.; Gunnoe, T. Brent; Cundari, Thomas R.; Boyle, Paul D.; Petersen, Jeffrey L.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1758
a	21.1094 ± 0.0008 Å
b	10.8322 ± 0.0004 Å
c	18.4744 ± 0.0007 Å
α	90°
β	108.414 ± 0.002°
γ	90°
Cell volume	4008.1 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.0375
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
178578 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/88.	4068808.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068808.cif
39984	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068808, 4068809, 4068810 via cif-deposit CGI script.	4068808.cif