Crystallography Open Database

Information card for entry 4110474

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Coordinates	4110474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H42 N2 Zr
Calculated formula	C22 H42 N2 Zr
Title of publication	Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers
Authors of publication	Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	3420 - 3432
a	9.2986 ± 0.0003 Å
b	16.2375 ± 0.0005 Å
c	15.5392 ± 0.0004 Å
α	90°
β	92.832 ± 0.001°
γ	90°
Cell volume	2343.34 ± 0.12 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
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	0.027
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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