Crystallography Open Database

Information card for entry 7234145

Preview

Coordinates	7234145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H30 F12 Ir N5 O2 P2
Calculated formula	C48 H30 F12 Ir N5 O2 P2
SMILES	c1(ccccc1)P1(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=[O][Ir]23(c4c(c5cccc[n]25)cc(C(F)(F)F)nc4C(F)(F)F)(c2c(cc(C(F)(F)F)nc2C(F)(F)F)c2cccc[n]32)O1
Title of publication	Efficient OLEDs with low efficiency roll-off using iridium complexes possessing good electron mobility
Authors of publication	Qiu-Lei Xu; Xiao Liang; Song Zhang; Yi-Ming Jing; Xuan Liu; Guang-Zhao Lu; You-Xuan Zheng; Jing-Lin Zuo
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	3694 - 3701
a	13.6205 ± 0.001 Å
b	23.0074 ± 0.0017 Å
c	16.9123 ± 0.0013 Å
α	90°
β	98.869 ± 0.001°
γ	90°
Cell volume	5236.5 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.184
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
218828 (current)	2019-09-25	cif/ Adding structures of 7234143, 7234144, 7234145 via cif-deposit CGI script.	7234145.cif