Crystallography Open Database

Information card for entry 7233743

Preview

Coordinates	7233743.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(ppy)2Ir(Me2NpropylN)(EtN)CPh]
Formula	C36 H38 Ir N5
Calculated formula	C36 H38 Ir N5
SMILES	[Ir]123([n]4c(c5c2cccc5)cccc4)([n]2c(c4c3cccc4)cccc2)[N](=C(N1CC)c1ccccc1)CCCN(C)C
Title of publication	Substituent effect on the electroluminescence efficiency of amidinate-ligated bis(pyridylphenyl) iridium(III) complexes
Authors of publication	Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	5317 - 5326
a	16.198 ± 0.009 Å
b	18.41 ± 0.01 Å
c	10.788 ± 0.006 Å
α	90°
β	101.611 ± 0.008°
γ	90°
Cell volume	3151 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	0.814
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
218131 (current)	2019-09-10	cif/ Adding structures of 7233743 via cif-deposit CGI script.	7233743.cif