Crystallography Open Database

Information card for entry 2238855

Preview

Coordinates	2238855.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	{2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(isopropanolato)aluminium dichloromethane hemisolvate
Formula	C19.5 H22 Al Cl N2 O3
Calculated formula	C19.5 H22 Al Cl N2 O3
SMILES	C(C)(C)O[Al]123[N](=Cc4c(O2)cccc4)CC[N]1=Cc1c(O3)cccc1.ClCCl
Title of publication	{2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(isopropanolato)aluminium dichloromethane hemisolvate
Authors of publication	Zaitsev, Kirill V.; Kuchuk, Ekaterina A.; Karlov, Sergey S.; Zaitseva, Galina S.; Churakov, Andrei V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m631 - m632
a	24.427 ± 0.003 Å
b	30.875 ± 0.004 Å
c	10.0956 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	7613.9 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238855.cif
92130	2014-01-12	cif/ Adding structures of 2238855 via cif-deposit CGI script.	2238855.cif