Crystallography Open Database

Information card for entry 4078144

Preview

Coordinates	4078144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H75 B3 F12 N3 O7.5 Os3
Calculated formula	C48 H66 B3 F12 N3 O7.5 Os3
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	15.016 ± 0.016 Å
b	19.85 ± 0.02 Å
c	20.5 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	6110 ± 11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1942
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	0.807
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.	4078144.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078144.cif
57725	2012-05-18	cif/ Adding structures of 4078141, 4078142, 4078143, 4078144, 4078145 via cif-deposit CGI script.	4078144.cif