Crystallography Open Database

Information card for entry 4072500

Preview

Coordinates	4072500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 N2 O6 Ti
Calculated formula	C20 H38 N2 O6 Ti
Title of publication	Titanium and Zirconium Complexes for Polymerization of Propylene and Cyclic Esters
Authors of publication	Gornshtein, Florina; Kapon, Moshe; Botoshansky, Mark; Eisen, Moris S.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	3
Pages of publication	497
a	9.652 ± 0.0006 Å
b	15.445 ± 0.0009 Å
c	17.105 ± 0.0013 Å
α	90°
β	93.967 ± 0.003°
γ	90°
Cell volume	2543.8 ± 0.3 Å³
Cell temperature	230 ± 0.1 K
Ambient diffraction temperature	230 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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