Crystallography Open Database

Information card for entry 4071484

Preview

Coordinates	4071484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H51 F3 N2 O4 Os S
Calculated formula	C38 H51 F3 N2 O4 Os S
Title of publication	Preparation, X-ray Structure, and Reactivity of an Osmium-Hydroxo Complex Stabilized by an N-Heterocyclic Carbene Ligand: A Base-Free Catalytic Precursor for Hydrogen Transfer from 2-Propanol to Aldehydes
Authors of publication	Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	3240
a	10.7729 ± 0.0015 Å
b	22.084 ± 0.003 Å
c	16.445 ± 0.002 Å
α	90°
β	93.904 ± 0.003°
γ	90°
Cell volume	3903.3 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178603 (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 4/07/14.	4071484.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071484.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071484.cif
43860	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071484, 4071485 via cif-deposit CGI script.	4071484.cif