Crystallography Open Database

Information card for entry 7028619

Preview

Coordinates	7028619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 Al N4
Calculated formula	C25 H25 Al N4
SMILES	[Al]12(n3c(C=[N]2c2ccc(cc2)C)ccc3)(n2cccc2C=[N]1c1ccc(cc1)C)C
Title of publication	Monomethylaluminum and dimethylaluminum pyrrolylaldiminates for the ring-opening polymerization of rac-lactide: effects of ligand structure and coordination geometry.
Authors of publication	Tabthong, Sittichoke; Nanok, Tanin; Kongsaeree, Palangpon; Prabpai, Samran; Hormnirun, Pimpa
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	1348 - 1359
a	9.9362 ± 0.0003 Å
b	12.7413 ± 0.0004 Å
c	18.0469 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2284.74 ± 0.11 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation probe	x-ray
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
179992 (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 7/02/86.	7028619.cif
105377	2014-03-12	cif/ Adding structures of 7028619 via cif-deposit CGI script.	7028619.cif