Crystallography Open Database

Information card for entry 4332241

Preview

Coordinates	4332241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H36 Cl2 F5 N3 O Ti
Calculated formula	C25 H36 Cl2 F5 N3 O Ti
SMILES	[Ti]1(Cl)(Cl)(Oc2c(cc(cc2CN1c1c(F)c(F)c(F)c(F)c1F)C(C)(C)C)C(C)(C)C)([NH](C)C)[NH](C)C
Title of publication	Highly Active Titanium-Based Olefin Polymerization Catalysts Supported by Bidentate Phenoxyamide Ligands
Authors of publication	Oakes, Daniel C. H.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	9
Pages of publication	3476 - 3477
a	10.7096 ± 0.0011 Å
b	16.0538 ± 0.0017 Å
c	17.4258 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2996 ± 0.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179425 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/22.	4332241.cif
98182	2014-01-29	cif/ Adding structures of 4332241 via cif-deposit CGI script.	4332241.cif