Crystallography Open Database

Information card for entry 4068572

Preview

Coordinates	4068572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 N2 O5.5 Ru
Calculated formula	C24 H30 N2 O5.5 Ru
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	31.843 ± 0.005 Å
b	31.843 ± 0.005 Å
c	10.133 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	10275 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068572.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068572.cif
39881	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068570, 4068571, 4068572 via cif-deposit CGI script.	4068572.cif