Crystallography Open Database

Information card for entry 4304727

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Coordinates	4304727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H48 F2 N2 Zr
Calculated formula	C38 H48 F2 N2 Zr
SMILES	[Zr]12([F]c3c(N1c1c(C(C)C)cccc1C(C)C)cccc3)([F]c1c(N2c2c(C(C)C)cccc2C(C)C)cccc1)(C)C
Title of publication	Fluorinated Diarylamido Complexes of Lithium, Zirconium, and Hafnium
Authors of publication	Wei-Ying Lee; Lan-Chang Liang
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3298 - 3306
a	12.7396 ± 0.0002 Å
b	16.7097 ± 0.0003 Å
c	17.808 ± 0.0004 Å
α	105.573 ± 0.001°
β	105.867 ± 0.001°
γ	91.795 ± 0.001°
Cell volume	3490.07 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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 all reflections	0.0895
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.191
Goodness-of-fit parameter for all reflections included in the refinement	0.826
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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