Crystallography Open Database

Information card for entry 4304729

Preview

Coordinates	4304729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 F2 Hf N2
Calculated formula	C50 H56 F2 Hf N2
SMILES	[Hf]12([F]c3c(N1c1c(C(C)C)cccc1C(C)C)cccc3)([F]c1c(N2c2c(C(C)C)cccc2C(C)C)cccc1)(Cc1ccccc1)Cc1ccccc1
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	11.0602 ± 0.0001 Å
b	11.7311 ± 0.0001 Å
c	18.4898 ± 0.0003 Å
α	74.851 ± 0.001°
β	86.397 ± 0.001°
γ	66.884 ± 0.001°
Cell volume	2127.6 ± 0.05 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	0.0416
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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