Crystallography Open Database

Information card for entry 4082428

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Coordinates	4082428.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Moris-268 (Tatiana)
Formula	C55 H54 F10 N8 O0.5 Ti
Calculated formula	C55 H54 F10 N8 O0.5 Ti
Title of publication	Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene
Authors of publication	Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	840
a	23.514 ± 0.005 Å
b	9.783 ± 0.002 Å
c	25.25 ± 0.005 Å
α	90°
β	110.947 ± 0.004°
γ	90°
Cell volume	5424.6 ± 1.9 Å³
Cell temperature	240 ± 1 K
Ambient diffraction temperature	240 ± 1 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1874
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2604
Weighted residual factors for all reflections included in the refinement	0.3187
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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