Crystallography Open Database

Information card for entry 4066455

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Coordinates	4066455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cl2 Zr
Calculated formula	C16 H18 Cl2 Zr
Title of publication	Dynamic Topochemical Reaction Control−A Principle and Its Application inansa-Metallocene Synthesis†
Authors of publication	Greger, Ingo; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	14
Pages of publication	3210
a	14.2011 ± 0.0005 Å
b	6.6487 ± 0.0002 Å
c	16.7868 ± 0.0006 Å
α	90°
β	97.411 ± 0.002°
γ	90°
Cell volume	1571.75 ± 0.09 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
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	0.0213
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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