Crystallography Open Database

Information card for entry 7053046

Preview

Coordinates	7053046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 Al2 N2 O2
Calculated formula	C34 H52 Al2 N2 O2
SMILES	C[Al]1([N](=Cc2c(c(cc(c2)C)C(C)(C)C)O1)C1CCC([N]2[Al](C)(C)Oc3c(cc(cc3C(C)(C)C)C)C=2)CC1)C
Title of publication	Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide
Authors of publication	Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	7
Pages of publication	1996
a	6.487 ± 0.0006 Å
b	7.668 ± 0.0007 Å
c	17.385 ± 0.0014 Å
α	98.515 ± 0.005°
β	90.729 ± 0.005°
γ	94.709 ± 0.005°
Cell volume	852.08 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180084 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30.	7053046.cif
86995	2013-07-12	cif/ Adding structures of 7053044, 7053045, 7053046, 7053047, 7053048 via cif-deposit CGI script.	7053046.cif