Crystallography Open Database

Information card for entry 4344445

Preview

Coordinates	4344445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H15 Dy F18 N4 O6
Calculated formula	C29 H15 Dy F18 N4 O6
SMILES	c12ccccc1[nH][n](c2)[Dy]123([n]4cc5ccccc5[nH]4)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O1)([O]=C(C=C(C(F)(F)F)O2)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F
Title of publication	Efficient Layers of Emitting Ternary Lanthanide Complexes for Fabricating Red, Green, and Yellow OLEDs.
Authors of publication	Ahmed, Zubair; Iftikhar, Khalid
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	23
Pages of publication	11209 - 11225
a	20.6001 ± 0.0015 Å
b	20.8819 ± 0.0015 Å
c	35.748 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	15378 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
173571 (current)	2016-01-06	cif/ Updating files of 4344443, 4344444, 4344445 Original log message: Adding full bibliography for 4344443--4344445.cif.	4344445.cif
170317	2015-11-15	cif/ Adding structures of 4344445 via cif-deposit CGI script.	4344445.cif