Crystallography Open Database

Information card for entry 7023283

Preview

Coordinates	7023283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 Al Cl2 N3
Calculated formula	C12 H22 Al Cl2 N3
SMILES	Cl[Al]12(Cl)n3c(C[NH]2C(C)(C)C)ccc3C[N]1(C)C
Title of publication	Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.
Authors of publication	Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	37
Pages of publication	13754 - 13764
a	12.5365 ± 0.0004 Å
b	13.4673 ± 0.0004 Å
c	10.0304 ± 0.0003 Å
α	90°
β	112.575 ± 0.002°
γ	90°
Cell volume	1563.7 ± 0.09 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149 ± 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	0.042
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179937 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/32.	7023283.cif
90486	2013-11-17	cif/ Adding structures of 7023283, 7023284, 7023285, 7023286, 7023287, 7023288, 7023289, 7023290, 7023291, 7023292 via cif-deposit CGI script.	7023283.cif