Crystallography Open Database

Information card for entry 7005918

Preview

Coordinates	7005918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 Cl3 Co N O2 P
Calculated formula	C18 H23 Cl3 Co N O2 P
SMILES	[Co](Cl)(Cl)(Cl)[P](CC(=O)OCC([NH3+])(C)C)(c1ccccc1)c1ccccc1
Title of publication	Mono- and dinuclear cobalt complexes with chelating or bridging bidentate P,N phosphino- and phosphinito-oxazoline ligands: synthesis, structures and catalytic ethylene oligomerisation.
Authors of publication	Jie, Suyun; Agostinho, Magno; Kermagoret, Anthony; Cazin, Catherine S. J.; Braunstein, Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	39
Pages of publication	4472 - 4482
a	14.238 ± 0.0006 Å
b	12.896 ± 0.0006 Å
c	13.104 ± 0.0009 Å
α	90°
β	111.826 ± 0.0016°
γ	90°
Cell volume	2233.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1905
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
179763 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/59.	7005918.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005918.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005918.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005918.cif