Crystallography Open Database

Information card for entry 4070594

Preview

Coordinates	4070594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H29.5 Cl2 F10 N2 O2 Ti
Calculated formula	C29.5 H29.5 Cl2 F10 N2 O2 Ti
Title of publication	Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization
Authors of publication	Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3642
a	13.905 ± 0.0008 Å
b	16.987 ± 0.001 Å
c	15.1935 ± 0.0009 Å
α	90°
β	99.915 ± 0.001°
γ	90°
Cell volume	3535.2 ± 0.4 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	7
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	0.0699
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4070594.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070594.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070594.cif
42579	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070590, 4070591, 4070592, 4070593, 4070594, 4070595 via cif-deposit CGI script.	4070594.cif