Crystallography Open Database

Information card for entry 4108924

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Coordinates	4108924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H56 Cl4 N4 O4 Ti2
Calculated formula	C76 H56 Cl4 N4 O4 Ti2
Title of publication	Ethylene/Polar Monomer Copolymerization Behavior of Bis(phenoxy-imine)Ti Complexes: Formation of Polar Monomer Copolymers
Authors of publication	Hiroshi Terao; Seiichi Ishii; Makoto Mitani; Hidetsugu Tanaka; Terunori Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17636 - 17637
a	25.63 ± 0.01 Å
b	14.784 ± 0.005 Å
c	17.845 ± 0.007 Å
α	90°
β	104.92 ± 0.03°
γ	90°
Cell volume	6534 ± 4 Å³
Cell temperature	223.2 K
Ambient diffraction temperature	223.2 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	0.0399
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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