Crystallography Open Database

Information card for entry 4302875

Preview

Coordinates	4302875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H126 Cl4 N2 O4 S2 Ti2
Calculated formula	C91 H126 Cl4 N2 O4 S2 Ti2
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	10.39 ± 0.002 Å
b	11.539 ± 0.002 Å
c	18.85 ± 0.004 Å
α	91.811 ± 0.004°
β	104.85 ± 0.004°
γ	95.667 ± 0.004°
Cell volume	2170 ± 0.7 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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.	4302875.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302875.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302875.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302875.cif