Crystallography Open Database

Information card for entry 1543993

Preview

Coordinates	1543993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Al2 N2 O2
Calculated formula	C32 H40 Al2 N2 O2
SMILES	[Al]1(OC2=C(C=[N]1[C@@H]1[C@@H]([N]3[Al](OC4=C(C=3)CCc3c4cccc3)(C)C)CCCC1)CCc1c2cccc1)(C)C.[Al]1(OC2=C(C=[N]1[C@H]1[C@H]([N]3[Al](OC4=C(C=3)CCc3c4cccc3)(C)C)CCCC1)CCc1c2cccc1)(C)C
Title of publication	Bimetallic aluminum complexes with cyclic β-ketiminato ligands: the cooperative effect improves their capability in polymerization of lactide and ε-caprolactone
Authors of publication	Huang, Hai-Chao; Wang, Bin; Zhang, Yan-Ping; Li, Yue-Sheng
Journal of publication	Polym. Chem.
Year of publication	2016
Journal volume	7
Journal issue	37
Pages of publication	5819
a	10.1875 ± 0.0007 Å
b	23.8487 ± 0.0016 Å
c	12.0803 ± 0.0008 Å
α	90°
β	96.1673 ± 0.0016°
γ	90°
Cell volume	2918 ± 0.3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0399
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
187205 (current)	2016-10-08	cif/ Updating files of 1543992, 1543993, 1543994 Original log message: Adding full bibliography for 1543992--1543994.cif.	1543993.cif
186077	2016-08-30	cif/ Adding structures of 1543992, 1543993, 1543994 via cif-deposit CGI script.	1543993.cif