Crystallography Open Database

Information card for entry 7003982

Preview

Structure parameters

Formula	C28 H28 Al N
Calculated formula	C28 H28 Al N
SMILES	[Al](N(c1c(c2ccccc2)cccc1)c1c(c2ccccc2)cccc1)(CC)CC
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	9.838 ± 0.003 Å
b	11.125 ± 0.003 Å
c	11.994 ± 0.004 Å
α	77.709 ± 0.005°
β	69.532 ± 0.005°
γ	72.918 ± 0.005°
Cell volume	1166.7 ± 0.6 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1463
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1581
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7003982.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.	7003982.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003982.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003982.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.	7003982.cif