Crystallography Open Database

Information card for entry 4070840

Preview

Coordinates	4070840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H66 Cl F3 N2 O6 Os S
Calculated formula	C53 H66 Cl F3 N2 O6 Os S
Title of publication	Osmium−Allenylidene Complexes Containing an N-Heterocyclic Carbene Ligand
Authors of publication	Castarlenas, Ricardo; Esteruelas, Miguel A.; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	795
a	17.657 ± 0.002 Å
b	18.14 ± 0.002 Å
c	16.2916 ± 0.0019 Å
α	90°
β	97.237 ± 0.002°
γ	90°
Cell volume	5176.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178597 (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 4/07/08.	4070840.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070840.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070840.cif
42747	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070840, 4070841, 4070842 via cif-deposit CGI script.	4070840.cif