Crystallography Open Database

Information card for entry 4325093

Preview

Coordinates	4325093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 Cl3 N3 Ti
Calculated formula	C34 H50 Cl3 N3 Ti
SMILES	CC(c1cc(cc(c1c1cccc2N(c3c(cccc3C(C)C)C(C)C)[Ti]([NH](C)C)([n]12)(Cl)(Cl)Cl)C(C)C)C(C)C)C
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	29.695 ± 0.0006 Å
b	12.939 ± 0.0004 Å
c	18.558 ± 0.0005 Å
α	90°
β	91.387 ± 0.002°
γ	90°
Cell volume	7128.3 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	0.752
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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