Crystallography Open Database

Information card for entry 1507235

Preview

Coordinates	1507235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H21 Cl3 N2 Ti
Calculated formula	C14 H21 Cl3 N2 Ti
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	12.679 ± 0.009 Å
b	10.317 ± 0.006 Å
c	14.49 ± 0.01 Å
α	90°
β	110.65 ± 0.04°
γ	90°
Cell volume	1774 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	1507235.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507235.cif
53763	2012-04-20	cif/ Adding structures of 1507235, 1507236, 1507237, 1507238 via cif-deposit CGI script.	1507235.cif