Crystallography Open Database

Information card for entry 7021037

Preview

Coordinates	7021037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl2 N2 O2 Ti
Calculated formula	C30 H28 Cl2 N2 O2 Ti
SMILES	[Ti]12(Cl)(Cl)(Oc3c(cccc3)C=[N]1CCc1ccccc1)Oc1c(cccc1)C=[N]2CCc1ccccc1
Title of publication	Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.
Authors of publication	Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	12
Pages of publication	4185 - 4196
a	7.182 ± 0.0012 Å
b	25.188 ± 0.0016 Å
c	14.674 ± 0.004 Å
α	90°
β	90.75 ± 0.003°
γ	90°
Cell volume	2654.3 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.1733
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71067 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179915 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/10.	7021037.cif
75576	2013-03-10	cif/ Adding structures of 7021036, 7021037, 7021038, 7021039, 7021040, 7021041, 7021042 via cif-deposit CGI script.	7021037.cif