Crystallography Open Database

Information card for entry 4304728

Preview

Coordinates	4304728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 F2 N2 Zr
Calculated formula	C44 H60 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)(CC(C)C)CC(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	18.4614 ± 0.0004 Å
b	12.6894 ± 0.0003 Å
c	19.2483 ± 0.0005 Å
α	90°
β	113.491 ± 0.001°
γ	90°
Cell volume	4135.48 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1134
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179085 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/47.	4304728.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304728.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304728.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304728.cif