Crystallography Open Database

Information card for entry 1505138

Preview

Coordinates	1505138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 Cl4 O6 Ti2
Calculated formula	C12 H32 Cl4 O6 Ti2
SMILES	[Ti]1(Cl)(Cl)(OCC)([OH]CC)[O]([Ti](Cl)(Cl)(OCC)([OH]CC)[O]1CC)CC
Title of publication	Synthesis and Characterization of Dichlorotitanium Alkoxide Complex and Its Activity in the Polymerization of α-Olefins
Authors of publication	Gueta-Neyroud, Tal; Tumanskii, Boris; Kapon, Moshe; Eisen, Moris S.
Journal of publication	Macromolecules
Year of publication	2007
Journal volume	40
Journal issue	15
Pages of publication	5261
a	7.186 ± 0.001 Å
b	9.546 ± 0.001 Å
c	9.894 ± 0.0012 Å
α	63.082 ± 0.01°
β	86.77 ± 0.005°
γ	80.046 ± 0.006°
Cell volume	595.87 ± 0.14 Å³
Cell temperature	230 ± 0.1 K
Ambient diffraction temperature	230 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	0.867
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
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.	1505138.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505138.cif
45377	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505138 via cif-deposit CGI script.	1505138.cif