Crystallography Open Database

Information card for entry 4302873

Preview

Coordinates	4302873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H57 Cl6 N O2 S Ti
Calculated formula	C37 H57 Cl6 N O2 S Ti
Title of publication	Synthesis, Structure, and Olefin Polymerization Activity of Titanium Complexes Bearing Asymmetric Tetradentate [OSNO]-Type Bis(phenolato) Ligands
Authors of publication	Geert-Jan M. Meppelder; Hong-Tao Fan; Thomas P. Spaniol; Jun Okuda
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7378 - 7388
a	9.4683 ± 0.0018 Å
b	18.311 ± 0.004 Å
c	24.477 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4243.7 ± 1.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2215
Weighted residual factors for all reflections included in the refinement	0.2349
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179066 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28.	4302873.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302873.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302873.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302873.cif