Crystallography Open Database

Information card for entry 4339765

Preview

Coordinates	4339765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Cl3 N O3 Ti
Calculated formula	C28 H40 Cl3 N O3 Ti
SMILES	[Ti]12(Cl)(Cl)(Cl)Oc3c(cc(cc3C=[N]1[C@@H]1[C@H]([OH]2)Cc2ccccc12)C(C)(C)C)C(C)(C)C.O(CC)CC
Title of publication	Novel chlorotitanium complexes containing chiral tridentate schiff base ligands for ring-opening polymerization of lactide.
Authors of publication	Lee, Junseong; Kim, Youngjo; Do, Youngkyu
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7701 - 7703
a	10.9666 ± 0.0006 Å
b	12.2922 ± 0.0007 Å
c	23.8353 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3213.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0954
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0468
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179500 (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 4/33/97.	4339765.cif
117527	2014-06-15	cif/ Adding structures of 4339764, 4339765 via cif-deposit CGI script.	4339765.cif