Crystallography Open Database

Information card for entry 4339458

Preview

Coordinates	4339458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H65 Li O5
Calculated formula	C42 H65 Li O5
SMILES	Oc1c(cc(cc1Cc1c(O[Li]([O](CC)CC)[O](CC)CC)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C)C(C)(C)C)C)C(C)(C)C
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	13.256 ± 0.006 Å
b	14.98 ± 0.006 Å
c	20.82 ± 0.009 Å
α	90°
β	95.641 ± 0.007°
γ	90°
Cell volume	4114 ± 3 Å³
Cell temperature	173.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.237
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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