Crystallography Open Database

Information card for entry 4074130

Preview

Coordinates	4074130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.33 H35.33 N0.22 O Zr
Calculated formula	C38.34 H35.35 N0.223333 O Zr
Title of publication	Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units
Authors of publication	Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	22
Pages of publication	5333
a	18.133 ± 0.001 Å
b	18.133 ± 0.001 Å
c	15.654 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	4457.5 ± 0.4 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.1002
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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