Crystallography Open Database

Information card for entry 4339461

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Coordinates	4339461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H113 Cl4 O6 Zr2
Calculated formula	C79 H92 Cl4 O6 Zr2
Title of publication	Anisole-diphenoxide ligands and their zirconium dichloride and dialkyl complexes.
Authors of publication	Matsuo, Tsukasa; Kawaguchi, Hiroyuki
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	20
Pages of publication	8426 - 8434
a	14.655 ± 0.007 Å
b	17.712 ± 0.009 Å
c	17.96 ± 0.009 Å
α	105.24 ± 0.007°
β	103.929 ± 0.006°
γ	106.408 ± 0.0011°
Cell volume	4057 ± 3 Å³
Cell temperature	173.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.1915
Goodness-of-fit parameter for all reflections included in the refinement	1.406
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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