Crystallography Open Database

Information card for entry 4107436

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Coordinates	4107436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H84 N2 O4 Zr
Calculated formula	C51 H84 N2 O4 Zr
Title of publication	Titanium and Zirconium Complexes of Robust Salophan Ligands. Coordination Chemistry and Olefin Polymerization Catalysis
Authors of publication	Shimrit Gendler; Ayellet L. Zelikoff; Jacob Kopilov; Israel Goldberg; Moshe Kol
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2144 - 2145
a	18.9363 ± 0.0001 Å
b	19.191 ± 0.0002 Å
c	14.5019 ± 0.0002 Å
α	90°
β	102.587 ± 0.0004°
γ	90°
Cell volume	5143.43 ± 0.09 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.0559
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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