Crystallography Open Database

Information card for entry 7037342

Preview

Coordinates	7037342.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Me2Al{(4-Me-NCOC6H3)2CH}]
Chemical name	Dimethyl aluminium bis-(4-methylbenzoxazol-2-yl)-methanide
Formula	C19 H19 Al N2 O2
Calculated formula	C19 H19 Al N2 O2
SMILES	[Al]1([N]2=C(C=C3Oc4cccc(c4N13)C)Oc1cccc(c21)C)(C)C
Title of publication	Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.
Authors of publication	Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6149 - 6158
a	8.029 ± 0.002 Å
b	14.773 ± 0.003 Å
c	14.072 ± 0.003 Å
α	90°
β	90.03 ± 0.02°
γ	90°
Cell volume	1669.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0321
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
181744 (current)	2016-04-05	cif/ Updating files of 7037336, 7037337, 7037338, 7037339, 7037340, 7037341, 7037342, 7037343 Original log message: Adding full bibliography for 7037336--7037343.cif.	7037342.cif
170427	2015-11-20	cif/ Adding structures of 7037336, 7037337, 7037338, 7037339, 7037340, 7037341, 7037342, 7037343 via cif-deposit CGI script.	7037342.cif