Crystallography Open Database

Information card for entry 4072815

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Coordinates	4072815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H72 Fe N4 Zr
Calculated formula	C50 H72 Fe N4 Zr
Title of publication	Zirconium Chelates of a Bulky Ferrocene-Based Diamido Ligand
Authors of publication	Siemeling, Ulrich; Auch, Tanja-Corinna; Tomm, Sabine; Fink, Heinrich; Bruhn, Clemens; Neumann, Beate; Stammler, Hans-Georg
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	4
Pages of publication	1112
a	18.752 ± 0.0002 Å
b	9.954 ± 0.0001 Å
c	25.174 ± 0.0003 Å
α	90°
β	96.132 ± 0.0007°
γ	90°
Cell volume	4672.03 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.316
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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