Crystallography Open Database

Information card for entry 4068978

Preview

Coordinates	4068978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Al Cl F5 N O
Calculated formula	C18 H16 Al Cl F5 N O
SMILES	Cl[Al]1(Oc2c(cccc2C=[N]1c1c(F)c(F)c(F)c(F)c1F)C(C)(C)C)C
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	12.4278 ± 0.0006 Å
b	12.3734 ± 0.0006 Å
c	12.7793 ± 0.0007 Å
α	90°
β	91.7271 ± 0.0017°
γ	90°
Cell volume	1964.23 ± 0.17 Å³
Cell temperature	193.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	4068978.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068978.cif
40073	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068977, 4068978, 4068979, 4068980, 4068981, 4068982 via cif-deposit CGI script.	4068978.cif