Crystallography Open Database

Information card for entry 4304725

Preview

Coordinates	4304725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Cl2 F2 N2 O Zr
Calculated formula	C40 H52 Cl2 F2 N2 O Zr
SMILES	[Zr]12(Cl)(Cl)([F]c3c(N1c1c(C(C)C)cccc1C(C)C)cccc3)[F]c1c(N2c2c(C(C)C)cccc2C(C)C)cccc1.O(CC)CC
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	12.4422 ± 0.0002 Å
b	13.0341 ± 0.0001 Å
c	14.8695 ± 0.0002 Å
α	64.673 ± 0.001°
β	86.759 ± 0.001°
γ	68.353 ± 0.001°
Cell volume	2011.15 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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