Crystallography Open Database

Information card for entry 4302874

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Coordinates	4302874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H55 N O4 S Ti
Calculated formula	C35 H55 N O4 S Ti
Title of publication	Synthesis, Structure, and Olefin Polymerization Activity of Titanium Complexes Bearing Asymmetric Tetradentate [OSNO]-Type Bis(phenolato) Ligands
Authors of publication	Geert-Jan M. Meppelder; Hong-Tao Fan; Thomas P. Spaniol; Jun Okuda
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7378 - 7388
a	11.5417 ± 0.0012 Å
b	16.1424 ± 0.0017 Å
c	18.5544 ± 0.0019 Å
α	90°
β	96.864 ± 0.003°
γ	90°
Cell volume	3432.1 ± 0.6 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1108
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1655
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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