Crystallography Open Database

Information card for entry 7233665

Preview

Coordinates	7233665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H23 B F7 Ir N10
Calculated formula	C32 H23 B F7 Ir N10
SMILES	[Ir]123([n]4ccccc4c4cn(n[n]14)C[B](F)(F)F)([n]1ccccc1c1c(F)nc(F)cc21)[n]1ccccc1c1c(F)nc(F)cc31.N#CC.N#CC
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	8.6423 ± 0.0001 Å
b	13.1265 ± 0.0002 Å
c	14.9287 ± 0.0002 Å
α	75.465 ± 0.001°
β	79.891 ± 0.001°
γ	88.149 ± 0.001°
Cell volume	1613.78 ± 0.04 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0334
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
218002 (current)	2019-09-05	cif/ Adding structures of 7233665 via cif-deposit CGI script.	7233665.cif