Crystallography Open Database

Information card for entry 4308664

Preview

Coordinates	4308664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H57 Al N2 O3
Calculated formula	C41 H57 Al N2 O3
SMILES	[Al]123(Oc4c(cc(cc4C=[N]2CC[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1C)C)C
Title of publication	Aluminum Salen Complexes and Tetrabutylammonium Salts: A Binary Catalytic System for Production of Polycarbonates from CO2 and Cyclohexene Oxide
Authors of publication	Donald J. Darensbourg; Damon R. Billodeaux
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1433 - 1442
a	10.004 ± 0.009 Å
b	14.185 ± 0.012 Å
c	15.389 ± 0.013 Å
α	115.006 ± 0.014°
β	96.996 ± 0.016°
γ	96.653 ± 0.017°
Cell volume	1930 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.075
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
179124 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/86.	4308664.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308664.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308664.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308664.cif