Crystallography Open Database

Information card for entry 7002578

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Coordinates	7002578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 Cl2 Zr
Calculated formula	C24 H34 Cl2 Zr
Title of publication	Ring-closing metathesis of sterically congested functionalized zirconocenes‒ethene polymerization catalysts derived from related bridged and open metallocenes
Authors of publication	Tumay, Tülay Aslı; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	41
Pages of publication	8923 - 8928
a	6.7351 ± 0.0001 Å
b	10.0317 ± 0.0002 Å
c	18.8814 ± 0.0004 Å
α	75.096 ± 0.001°
β	87.165 ± 0.001°
γ	79.401 ± 0.002°
Cell volume	1211.76 ± 0.04 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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