Crystallography Open Database

Information card for entry 4309146

Preview

Coordinates	4309146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Cl4 N2 O4 Ti
Calculated formula	C28 H38 Cl4 N2 O4 Ti
SMILES	C1c2cc(cc(c2O[Ti]23([N]1(C)[C@@H]1CCCC[C@H]1[N]2(Cc1cc(cc(c1O3)Cl)Cl)C)(OC(C)C)OC(C)C)Cl)Cl
Title of publication	Diastereoisomerically Selective Enantiomerically Pure Titanium Complexes of Salan Ligands: Synthesis, Structure, and Preliminary Activity Studies
Authors of publication	Adi Yeori; Stanislav Groysman; Israel Goldberg; Moshe Kol
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4466 - 4468
a	15.067 ± 0.0005 Å
b	15.067 ± 0.0005 Å
c	13.135 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2981.84 ± 0.18 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
179129 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/91.	4309146.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309146.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309146.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309146.cif