Crystallography Open Database

Information card for entry 1564469

Preview

Coordinates	1564469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H25 Cl2 F2 Ir N4 O2
Calculated formula	C32 H25 Cl2 F2 Ir N4 O2
SMILES	[Ir]123([n]4n(c5c3cc(F)cc5)cc3ccccc43)([n]3n(cc4c3cccc4)c3c2cc(F)cc3)OC(=CC(=[O]1)C)C.ClCCl
Title of publication	New yellow-emitting iridium(III) complexes containing 2-phenyl-2H-indazole-based ligands for high efficient OLEDs with EQE over 25%
Authors of publication	Liu, Zhuo; Yang, Rui-Lian; Yang, Xiao-Han; Cao, Jing-Lan; Fan, Xu-Ru; Wu, Shui-Xing; Niu, Zhi-Gang; Li, Gao-Nan
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	509
Pages of publication	119704
a	17.6596 ± 0.0006 Å
b	15.2619 ± 0.0005 Å
c	22.6001 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6091.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1486
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2219
Weighted residual factors for all reflections included in the refinement	0.2548
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
268313 (current)	2021-08-31	cif/ Adding structures of 1564469 via cif-deposit CGI script.	1564469.cif