Crystallography Open Database

Information card for entry 7113676

Preview

Coordinates	7113676.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	LAl2Me4
Formula	C24 H38 Al2 N4 O
Calculated formula	C24 H38 Al2 N4 O
SMILES	[Al]1(N(c2c3oc4c(N([Al]5(C)C)CC[N]5(C)C)cccc4c3ccc2)CC[N]1(C)C)(C)C
Title of publication	New dibenzofuran-bridged bis(amidoamine) and bis(ethylenediamine) ligands and their dinuclear zinc and aluminium complexes
Authors of publication	Hlavinka, Mark L.; Hagadorn, John R.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	21
Pages of publication	2686 - 2687
a	13.3634 ± 0.0004 Å
b	10.6542 ± 0.0003 Å
c	18.4122 ± 0.0006 Å
α	90°
β	99.586 ± 0.001°
γ	90°
Cell volume	2584.86 ± 0.14 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104882
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210662 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7104880-7104882, 7113674-7113676. Marking entries 7113674-7113676 as duplicates of entries 7104880-7104882.	7113676.cif
180250	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/36.	7113676.cif
115199	2014-06-02	cif/ Adding structures of 7113674, 7113675, 7113676 via cif-deposit CGI script.	7113676.cif