Crystallography Open Database

Information card for entry 7233663

Preview

Coordinates	7233663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H19 B F7 Ir N6
Calculated formula	C30 H19 B F7 Ir N6
SMILES	[Ir]123([n]4ccccc4c4[n]1nn(c4)C[B](F)(F)F)([n]1ccccc1c1c(F)cc(F)cc21)[n]1ccccc1c1c(F)cc(F)cc31
Title of publication	Highly efficient blue and deep-blue emitting zwitterionic iridium(III) complexes: synthesis, photophysics and electroluminescence
Authors of publication	Noviyan Darmawan; Cheng-Han Yang; Matteo Mauro; Roland Frohlich; Luisa De Cola; Chih-Hao Chang; Zih-Jyun Wu; Cheng-Wei Tai
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	2569 - 2582
a	9.666 ± 0.0003 Å
b	23.6037 ± 0.0008 Å
c	12.8285 ± 0.0004 Å
α	90°
β	101.336 ± 0.002°
γ	90°
Cell volume	2869.77 ± 0.16 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218000 (current)	2019-09-05	cif/ Adding structures of 7233663 via cif-deposit CGI script.	7233663.cif