Crystallography Open Database

Information card for entry 4068570

Preview

Coordinates	4068570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 Cl4 N4 O6 Ru2 Zn
Calculated formula	C38 H46 Cl4 N4 O6 Ru2 Zn
SMILES	[Ru]123([Cl][Zn]4([Cl]1)[Cl][Ru]15([Cl]4)([N]4=C(OCC4(C)C)c4c5c(c(cc4C)C)C4=[N]1C(CO4)(C)C)C#[O])([N]1=C(OCC1(C)C)c1c3c(c(cc1C)C)C1=[N]2C(CO1)(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	8.32 ± 0.007 Å
b	10.286 ± 0.009 Å
c	26.63 ± 0.02 Å
α	97.657 ± 0.017°
β	91.08 ± 0.02°
γ	105.23 ± 0.02°
Cell volume	2176 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1108
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.2107
Weighted residual factors for all reflections included in the refinement	0.2296
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
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.	4068570.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068570.cif
39881	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068570, 4068571, 4068572 via cif-deposit CGI script.	4068570.cif