Crystallography Open Database

Information card for entry 4304726

Preview

Coordinates	4304726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cl2 F2 Hf N2
Calculated formula	C36 H42 Cl2 F2 Hf N2
SMILES	[Hf]12(Cl)(Cl)([F]c3c(N1c1c(C(C)C)cccc1C(C)C)cccc3)[F]c1ccccc1N2c1c(C(C)C)cccc1C(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	9.1838 ± 0.0001 Å
b	13.6568 ± 0.0002 Å
c	16.0542 ± 0.0003 Å
α	67.081 ± 0.001°
β	77.91 ± 0.001°
γ	70.295 ± 0.001°
Cell volume	1738.88 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4304726.html