Crystallography Open Database

Information card for entry 7233206

Preview

Coordinates	7233206.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ir(ppy)2(iPr2gua)
Formula	C35 H44 Ir N5
Calculated formula	C35 H44 Ir N5
SMILES	[Ir]123([n]4c(c5c2cccc5)cccc4)([n]2c(c4c3cccc4)cccc2)[N](C(C)C)=C(N1C(C)C)N(C(C)C)C(C)C
Title of publication	Highly efficient phosphorescent OLEDs with host-independent and concentration-insensitive properties based on a bipolar iridium complex
Authors of publication	Tai Peng; Guomeng Li; Kaiqi Ye; Chenguang Wang; Shanshan Zhao; Yu Liu; Zhaomin Hou; Yue Wang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	2920 - 2926
a	9.7802 ± 0.0012 Å
b	11.724 ± 0.0015 Å
c	15.3546 ± 0.0019 Å
α	92.77 ± 0.002°
β	93.282 ± 0.002°
γ	114.31 ± 0.002°
Cell volume	1596.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
217157 (current)	2019-07-18	cif/ Adding structures of 7233206 via cif-deposit CGI script.	7233206.cif