Crystallography Open Database

Information card for entry 4349496

Preview

Coordinates	4349496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Al2 N4
Calculated formula	C28 H32 Al2 N4
SMILES	[Al]1([n]2c3C4(N1c1c(N5[Al]([n]6c7C5=C4CCc7ccc6)(C)C)cccc1)CCCc3ccc2)(C)C
Title of publication	Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization
Authors of publication	Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	10
Pages of publication	1317
a	8.9764 ± 0.0019 Å
b	18.234 ± 0.004 Å
c	30.861 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	5051.2 ± 1.9 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
234820 (current)	2019-11-23	cif/ Adding structures of 4349493, 4349494, 4349495, 4349496, 4349497 via cif-deposit CGI script.	4349496.cif