Crystallography Open Database

Information card for entry 1507238

Preview

Coordinates	1507238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 Cl3 N2 O Ti
Calculated formula	C17 H27 Cl3 N2 O Ti
SMILES	C1(c2ccccc2)=[N](C(C)C)[Ti](N1C(C)C)([O]1CCCC1)(Cl)(Cl)Cl
Title of publication	Titanium Monoamidinate−MAO Catalysts: Some Information about Active Species and Stereochemical Polymerization Mechanisms
Authors of publication	Liguori, Dario; Centore, Roberto; Tuzi, Angela; Grisi, Fabia; Sessa, Irene; Zambelli, Adolfo
Journal of publication	Macromolecules
Year of publication	2003
Journal volume	36
Journal issue	15
Pages of publication	5451
a	9.809 ± 0.005 Å
b	14.264 ± 0.003 Å
c	15.625 ± 0.007 Å
α	90°
β	101.43 ± 0.07°
γ	90°
Cell volume	2142.8 ± 1.6 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	0.0864
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507238.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507238.cif
53763	2012-04-20	cif/ Adding structures of 1507235, 1507236, 1507237, 1507238 via cif-deposit CGI script.	1507238.cif