Crystallography Open Database

Information card for entry 4072477

Preview

Coordinates	4072477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H41 Cl2 N4 O P Ru S
Calculated formula	C31 H41 Cl2 N4 O P Ru S
SMILES	[Ru]12(Cl)(Cl)([P](c3c(cccc3)C[NH]1[C@H]1[C@H]([NH2]2)CCCC1)(c1ccccc1)c1ccccc1)[S](=O)(C)C.N#CC.N#CC
Title of publication	Hydrogenation of Aldehydes, Esters, Imines, and Ketones Catalyzed by a Ruthenium Complex of a Chiral Tridentate Ligand
Authors of publication	Clarke, Matthew L.; Díaz-Valenzuela, M. Belén; Slawin, Alexandra M. Z.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	1
Pages of publication	16
a	9.6872 ± 0.0013 Å
b	14.333 ± 0.002 Å
c	24.351 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3381.1 ± 0.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	8
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	0.0531
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
178613 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/24.	4072477.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072477.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072477.cif
45840	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072477 via cif-deposit CGI script.	4072477.cif