Crystallography Open Database

Information card for entry 7053678

Preview

Coordinates	7053678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Cl3 Cr N2 O3
Calculated formula	C22 H22 Cl3 Cr N2 O3
SMILES	[Cr]12345(Cl)(Oc6c(cc(N(=O)=O)cc6C=[N]1C(C)C)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.ClCCl
Title of publication	Synthesis, structures and ethylene polymerization behavior of half-metallocene chromium(iii) catalysts bearing salicylaldiminato ligands
Authors of publication	Sun, Mingtai; Mu, Ying; Wu, Qiaolin; Gao, Wei; Ye, Ling
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	12
Pages of publication	2979
a	11.365 ± 0.002 Å
b	18.149 ± 0.004 Å
c	12.445 ± 0.003 Å
α	90°
β	110.76 ± 0.03°
γ	90°
Cell volume	2400.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1221
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1953
Weighted residual factors for all reflections included in the refinement	0.2262
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180090 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/36.	7053678.cif
93751	2014-01-13	cif/ Adding structures of 7053673, 7053674, 7053675, 7053676, 7053677, 7053678 via cif-deposit CGI script.	7053678.cif