Crystallography Open Database

Information card for entry 7028815

Preview

Coordinates	7028815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 Al F5 N O
Calculated formula	C19 H15 Al F5 N O
SMILES	[Al]1([N](c2c(F)c(F)c(F)c(F)c2F)=CC2=C(O1)c1ccccc1CC2)(C)C
Title of publication	Living ring-opening homo- and copolymerisation of ε-caprolactone and L-lactide by cyclic β-ketiminato aluminium complexes.
Authors of publication	Liu, Yan; Dong, Wei-Shi; Liu, Jing-Yu; Li, Yue-Sheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2244 - 2251
a	7.9649 ± 0.0007 Å
b	15.0918 ± 0.0013 Å
c	15.0663 ± 0.0013 Å
α	90°
β	102.838 ± 0.002°
γ	90°
Cell volume	1765.8 ± 0.3 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 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 all reflections	0.0723
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
179994 (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 7/02/88.	7028815.cif
105434	2014-03-12	cif/ Adding structures of 7028813, 7028814, 7028815 via cif-deposit CGI script.	7028815.cif