Crystallography Open Database

Information card for entry 7023287

Preview

Coordinates	7023287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Al N3 O2
Calculated formula	C28 H40 Al N3 O2
SMILES	[Al]12(n3c(C[NH]1C(C)(C)C)ccc3C[NH]2C(C)(C)C)(Oc1ccc(cc1)C)Oc1ccc(cc1)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	9.6058 ± 0.0017 Å
b	27.908 ± 0.005 Å
c	10.519 ± 0.002 Å
α	90°
β	104.168 ± 0.012°
γ	90°
Cell volume	2734.1 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1055
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.2063
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	7023287.cif
90486	2013-11-17	cif/ Adding structures of 7023283, 7023284, 7023285, 7023286, 7023287, 7023288, 7023289, 7023290, 7023291, 7023292 via cif-deposit CGI script.	7023287.cif