Crystallography Open Database

Information card for entry 4325091

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Coordinates	4325091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H59 Cl3 N2 O2 Ti
Calculated formula	C40 H59 Cl3 N2 O2 Ti
SMILES	c12[n](c(ccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[Ti](N2c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)([O]1CCCC1)OCCCCCl
Title of publication	Highly Active Titanium-Based Olefin Polymerization Catalysts Bearing Bulky Aminopyridinato Ligands
Authors of publication	Awal Noor; Winfried P. Kretschmer; Germund Glatz; Rhett Kempe
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4598 - 4606
a	19.663 ± 0.001 Å
b	27.646 ± 0.0011 Å
c	15.285 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	8309 ± 0.6 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1617
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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