Crystallography Open Database

Information card for entry 7006388

Preview

Coordinates	7006388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 Al2 N2 O2
Calculated formula	C24 H44 Al2 N2 O2
SMILES	[Al]1([O](/N=C2\C([C@H]3CC[C@@]2(C3)C)(C)C)[Al]([N](O1)=C1C([C@H]2CC[C@@]1(C2)C)(C)C)(C)C)(C)C
Title of publication	Organoaluminium complexes with sterically demanding oximato ligands: does a bulky and rigid ligand backbone change the aggregation motif?
Authors of publication	Ullrich, Matthias; Mitzel, Norbert W.; Bergander, Klaus; Fröhlich, Roland
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	5
Pages of publication	714 - 721
a	10.92 ± 0.001 Å
b	16.96 ± 0.001 Å
c	29.994 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5555 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179767 (current)	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 7/00/63.	7006388.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006388.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006388.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006388.cif