Crystallography Open Database

Information card for entry 7003956

Preview

Coordinates	7003956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 Al F5 N O
Calculated formula	C19 H19 Al F5 N O
SMILES	[Al]1(Oc2c(C=[N]1c1c(F)c(F)c(F)c(F)c1F)cccc2C(C)(C)C)(C)C
Title of publication	Synthesis of Al complexes containing phenoxy-imine ligands and their use as the catalyst precursors for efficient living ring-opening polymerisation of ε-caprolactone
Authors of publication	Liu, Jingyu; Iwasa, Naruhito; Nomura, Kotohiro
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	30
Pages of publication	3978 - 3988
a	17.7482 ± 0.0006 Å
b	15.6029 ± 0.0006 Å
c	14.4394 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3998.6 ± 0.2 Å³
Cell temperature	243.1 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7003956.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003956.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003956.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003956.cif