Crystallography Open Database

Information card for entry 4078141

Preview

Coordinates	4078141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Cl N O2 Os
Calculated formula	C20 H26 Cl N O2 Os
SMILES	[Os]123456(Cl)(OC(=O)[C@@H]([NH]1C)Cc1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C
Title of publication	Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity
Authors of publication	Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3333
a	10.367 ± 0.0012 Å
b	6.6771 ± 0.0007 Å
c	13.6406 ± 0.0015 Å
α	90°
β	93.131 ± 0.002°
γ	90°
Cell volume	942.81 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
178670 (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 4/07/81.	4078141.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078141.cif
57725	2012-05-18	cif/ Adding structures of 4078141, 4078142, 4078143, 4078144, 4078145 via cif-deposit CGI script.	4078141.cif