Crystallography Open Database

Information card for entry 4067165

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Coordinates	4067165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H41 Cl2 N3 O Zr
Calculated formula	C33 H41 Cl2 N3 O Zr
Title of publication	Synthesis of a [(π-Cyano-nacnac)Cp]zirconium Complex and Its Remote Activation for Ethylene Polymerization
Authors of publication	Cabrera, Alan R.; Schneider, Yanika; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard; Rojas, Rene S.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	22
Pages of publication	6104
a	10.2577 ± 0.0001 Å
b	13.2092 ± 0.0002 Å
c	13.6742 ± 0.0003 Å
α	72.173 ± 0.001°
β	87.628 ± 0.001°
γ	68.432 ± 0.002°
Cell volume	1635.03 ± 0.05 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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