Crystallography Open Database

Information card for entry 4078432

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Coordinates	4078432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H48 Cl4 F4 N4 O2 Ti
Calculated formula	C41 H48 Cl4 F4 N4 O2 Ti
Title of publication	Bis(phenoxy-azo)titanium(IV) Complexes: Synthesis, Structure, and Catalytic Activity in Styrene Polymerization
Authors of publication	Tanaka, Ryo; Viehmann, Philipp; Hecht, Stefan
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	11
Pages of publication	4216
a	14.5556 ± 0.0006 Å
b	25.3682 ± 0.001 Å
c	11.6943 ± 0.0005 Å
α	90°
β	97.611 ± 0.003°
γ	90°
Cell volume	4280.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1113
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	0.806
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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