Crystallography Open Database

Information card for entry 4084088

Preview

Coordinates	4084088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cl2 Cr N
Calculated formula	C18 H18 Cl2 Cr N
SMILES	[Cr]12345(Cl)(Cl)[n]6c7c(cccc7ccc6)[c]61[c]2([c]3([c]4([c]56C)C)C)C
Title of publication	New Chromium(III) Complexes as Highly Active Catalysts for Olefin Polymerization
Authors of publication	Enders, Markus; Fernández, Pablo; Ludwig, Gunter; Pritzkow, Hans
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	24
Pages of publication	5005
a	14.1181 ± 0.0002 Å
b	13.603 ± 0.0002 Å
c	17.5427 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3369.05 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0823
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
178729 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/40.	4084088.cif
120815	2014-07-26	cif/ Adding structures of 4084088, 4084089 via cif-deposit CGI script.	4084088.cif