Crystallography Open Database

Information card for entry 4069553

Preview

Coordinates	4069553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H53 N2 O2 P2 Ru
Calculated formula	C52 H53 N2 O2 P2 Ru
Title of publication	Pincer CNN Ruthenium(II) Complexes with Oxygen-Containing Ligands (O2CR, OAr, OR, OSiR3, O3SCF3): Synthesis, Structure, and Catalytic Activity in Fast Transfer Hydrogenation
Authors of publication	Baratta, Walter; Ballico, Maurizio; Del Zotto, Alessandro; Herdtweck, Eberhardt; Magnolia, Santo; Peloso, Riccardo; Siega, Katia; Toniutti, Micaela; Zangrando, Ennio; Rigo, Pierluigi
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4421
a	11.815 ± 0.004 Å
b	13.204 ± 0.004 Å
c	17.016 ± 0.004 Å
α	84.26 ± 0.03°
β	72.34 ± 0.02°
γ	66.9 ± 0.03°
Cell volume	2326.1 ± 1.3 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	0.0735
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	0.861
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
178584 (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 4/06/95.	4069553.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069553.cif
40331	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069553 via cif-deposit CGI script.	4069553.cif