Crystallography Open Database

Information card for entry 4070842

Preview

Coordinates	4070842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H70 B Cl2 F4 N2 Os P
Calculated formula	C51.5 H70 B Cl2 F4 N2 Os P
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	22.677 ± 0.002 Å
b	22.619 ± 0.002 Å
c	21.715 ± 0.002 Å
α	90°
β	113.325 ± 0.002°
γ	90°
Cell volume	10228 ± 1.6 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 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	0.1494
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	0.767
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
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.	4070842.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070842.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070842.cif
42747	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070840, 4070841, 4070842 via cif-deposit CGI script.	4070842.cif