Crystallography Open Database

Information card for entry 7037319

Preview

Coordinates	7037319.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	OMebth2NAlMe2_AlMe3
Chemical name	[Me2Al{(4-OMe-NCSC6H3)2N}AlMe3]
Formula	C23.92 H30.33 Al2 N3 O2 S2
Calculated formula	C23.919 H30.336 Al2 N3 O2 S2
Title of publication	Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.
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	6136 - 6148
a	11.136 ± 0.002 Å
b	17.335 ± 0.003 Å
c	14.122 ± 0.002 Å
α	90°
β	95.96 ± 0.02°
γ	90°
Cell volume	2711.4 ± 0.8 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	0.0588
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181718 (current)	2016-04-05	cif/ Updating files of 7037314, 7037315, 7037316, 7037317, 7037318, 7037319, 7037320 Original log message: Adding full bibliography for 7037314--7037320.cif.	7037319.cif
170424	2015-11-20	cif/ Adding structures of 7037314, 7037315, 7037316, 7037317, 7037318, 7037319, 7037320 via cif-deposit CGI script.	7037319.cif