Crystallography Open Database

Information card for entry 4068571

Preview

Coordinates	4068571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N2 O5 Ru
Calculated formula	C32 H30 N2 O5 Ru
SMILES	[Ru]123([N]4=C(OC[C@@H]4c4ccccc4)c4c3c(c(cc4C)C)C3=[N]1[C@H](CO3)c1ccccc1)(OC(=CC(=[O]2)C)C)C#[O]
Title of publication	New Bis(oxazolinyl)phenyl−Ruthenium(II) Complexes and Their Catalytic Activity for Enantioselective Hydrogenation and Transfer Hydrogenation of Ketones
Authors of publication	Ito, Jun-ichi; Ujiie, Satoshi; Nishiyama, Hisao
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	2
Pages of publication	630
a	11.9056 ± 0.0006 Å
b	13.1663 ± 0.0006 Å
c	18.7063 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2932.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
178575 (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 4/06/85.	4068571.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068571.cif
39881	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068570, 4068571, 4068572 via cif-deposit CGI script.	4068571.cif