Crystallography Open Database

Information card for entry 4109112

Preview

Coordinates	4109112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H45 Cl Cr N O
Calculated formula	C29 H45 Cl Cr N O
SMILES	[Cr]12345(Cl)([N](C(C)(C)C)=Cc6c(O1)c(cc(c6)C(C)(C)C)C(C)(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Highly Active Half-Metallocene Chromium(III) Catalysts for Ethylene Polymerization Activated by Trialkylaluminum
Authors of publication	Tieqi Xu; Ying Mu; Wei Gao; Jianguo Ni; Ling Ye; Yanchun Tao
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2236 - 2237
a	27.687 ± 0.013 Å
b	15.086 ± 0.005 Å
c	18.057 ± 0.007 Å
α	90°
β	118.63 ± 0.014°
γ	90°
Cell volume	6620 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1391
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1968
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178837 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91.	4109112.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109112.cif
57866	2012-05-23	cif/ Adding structures of 4109112 via cif-deposit CGI script.	4109112.cif