Crystallography Open Database

Information card for entry 4082765

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Coordinates	4082765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H45 Cl2 Zr
Calculated formula	C43 H45 Cl2 Zr
Title of publication	Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes
Authors of publication	Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	6
Pages of publication	1440
a	10.9192 ± 0.0005 Å
b	11.8672 ± 0.0005 Å
c	16.4574 ± 0.0007 Å
α	71.842 ± 0.002°
β	81.563 ± 0.002°
γ	63.229 ± 0.002°
Cell volume	1809.11 ± 0.14 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0472
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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