Crystallography Open Database

Information card for entry 4068982

Preview

Coordinates	4068982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H53 Al3 F5 N O5
Calculated formula	C49 H53 Al3 F5 N O5
SMILES	[Al]123([N](=Cc4c(O1)c(ccc4)C(C)(C)C)c1c(F)c(F)c(F)c(F)c1F)([O]([Al]([O]2Cc1ccccc1)(C)C)Cc1ccccc1)[O]([Al]([O]3Cc1ccccc1)(C)C)Cc1ccccc1
Title of publication	Notable Effect of Fluoro Substituents in the Imino Group in Ring-Opening Polymerization of ε-Caprolactone by Al Complexes Containing Phenoxyimine Ligands
Authors of publication	Iwasa, Naruhito; Katao, Shohei; Liu, Jingyu; Fujiki, Michiya; Furukawa, Yoshiro; Nomura, Kotohiro
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2179
a	16.4445 ± 0.0004 Å
b	13.2799 ± 0.0005 Å
c	22.1077 ± 0.0006 Å
α	90°
β	100.824 ± 0.0007°
γ	90°
Cell volume	4742 ± 0.2 Å³
Cell temperature	243.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068982.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068982.cif
40073	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068977, 4068978, 4068979, 4068980, 4068981, 4068982 via cif-deposit CGI script.	4068982.cif