Crystallography Open Database

Information card for entry 4082768

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Coordinates	4082768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C135 H149 O3 Zr3
Calculated formula	C135 H148 O3 Zr3
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	14.8072 ± 0.0004 Å
b	15.4266 ± 0.0004 Å
c	25.8025 ± 0.0006 Å
α	86.719 ± 0.001°
β	74.709 ± 0.001°
γ	73.988 ± 0.001°
Cell volume	5463.9 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0884
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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