Crystallography Open Database

Information card for entry 7019411

7019410 << 7019411 >> 7019412

Preview

Coordinates	7019411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Cl3 F3 N O P Ti
Calculated formula	C28 H20 Cl3 F3 N O P Ti
SMILES	[Ti]12([P](c3ccccc3)(c3c([N]2=C(C=C(O1)C(F)(F)F)c1ccccc1)cccc3)c1ccccc1)(Cl)(Cl)Cl
Title of publication	Synthesis and characterization of novel titanium complexes bearing [ONX]-type β-enaminoketonato ligands and their application to ethylene (co)polymerization.
Authors of publication	Tao, Ping; Tang, Xiao-Yan; Li, Bai-Xiang; Liu, Jing-Yu; Li, Yue-Sheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	24
Pages of publication	7390 - 7398
a	9.0938 ± 0.0005 Å
b	18.1497 ± 0.0011 Å
c	17.1168 ± 0.001 Å
α	90°
β	92.954 ± 0.001°
γ	90°
Cell volume	2821.4 ± 0.3 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179898 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94.	7019411.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019411.cif
62863	2012-07-09	cif/ Adding structures of 7019409, 7019410, 7019411, 7019412 via cif-deposit CGI script.	7019411.cif