Crystallography Open Database

Information card for entry 4118765

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Structure parameters

Common name	Motis-209(Manab)
Formula	C22 H40 Cl2 N6 Ti
Calculated formula	C22 H40 Cl2 N6 Ti
SMILES	[Ti](Cl)(Cl)(N=C1N(C(C)(C)C)C=CN1C(C)(C)C)N=C1N(C(C)(C)C)C=CN1C(C)(C)C
Title of publication	Bis(1,3-di-tert-butylimidazolin-2-iminato) Titanium Complexes as Effective Catalysts for the Monodisperse Polymerization of Propylene
Authors of publication	Manab Sharma; Haneen Simaan Yameen; Boris Tumanskii; Sabina-Alexandra Filimon; Matthias Tamm; Moris S. Eisen
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	17234 - 17244
a	9.768 ± 0.002 Å
b	15.864 ± 0.003 Å
c	18.139 ± 0.004 Å
α	90°
β	104.84 ± 0.03°
γ	90°
Cell volume	2717.1 ± 1 Å³
Cell temperature	240 ± 1 K
Ambient diffraction temperature	240 ± 1 K
Number of distinct elements	5
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	0.0917
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	0.863
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4118765.cif
178958	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/87.	4118765.cif
76323	2013-03-17	cif/ Adding structures of 4118765 via cif-deposit CGI script.	4118765.cif