Crystallography Open Database

Information card for entry 7003978

Preview

Coordinates	7003978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 Li2 N2
Calculated formula	C54 H42 Li2 N2
SMILES	[Li]1[N](c2c(cccc2)c2ccccc2)(c2c(cccc2)c2ccccc2)[Li][N]1(c1c(cccc1)c1ccccc1)(c1c(cccc1)c1ccccc1).c1ccccc1
Title of publication	Biphenylamide ligand complexes of Li and Al: hemilabile arene donors?
Authors of publication	Dureen, Meghan A.; Stephan, Douglas W.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	35
Pages of publication	4723 - 4731
a	13.96 ± 0.003 Å
b	22.82 ± 0.005 Å
c	24.218 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7715 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
212870 (current)	2019-01-06	cif/7 Fixing some Z values and formulae	7003978.cif
179743	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/39.	7003978.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003978.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003978.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003978.cif