Crystallography Open Database

Information card for entry 4344444

Preview

Coordinates	4344444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H15 F18 N4 O6 Tb
Calculated formula	C29 H15 F18 N4 O6 Tb
SMILES	c1c2ccccc2[nH][n]1[Tb]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)[O]=C(C=C(C(F)(F)F)O3)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	9.7278 ± 0.0003 Å
b	11.4273 ± 0.0004 Å
c	17.6049 ± 0.0007 Å
α	103.022 ± 0.002°
β	95.802 ± 0.002°
γ	98.031 ± 0.002°
Cell volume	1870.07 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4344444.cif
170316	2015-11-15	cif/ Adding structures of 4344444 via cif-deposit CGI script.	4344444.cif