Crystallography Open Database

Information card for entry 7037338

Preview

Coordinates	7037338.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[ClMeAl{(4-Me-NCOC6H3)2CH}]
Chemical name	Chloro methyl aluminium bis-(4-methylbenzoxazol-2-yl)-methanide
Formula	C18.11 H16.32 Al Cl0.89 N2 O2
Calculated formula	C18.106 H16.318 Al Cl0.893 N2 O2
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	7.982 ± 0.002 Å
b	14.727 ± 0.003 Å
c	13.89 ± 0.003 Å
α	90°
β	91.73 ± 0.02°
γ	90°
Cell volume	1632 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0424
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	Yes
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.	7037338.cif
170427	2015-11-20	cif/ Adding structures of 7037336, 7037337, 7037338, 7037339, 7037340, 7037341, 7037342, 7037343 via cif-deposit CGI script.	7037338.cif