Crystallography Open Database

Information card for entry 4087260

Preview

Coordinates	4087260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H17.9 Cl1.1 F7 Ir N3 O2
Calculated formula	C32.5 H17.9 Cl1.1 F7 Ir N3 O2
Title of publication	Color Tuning of Efficient Electroluminescence in the Blue and Green Regions Using Heteroleptic Iridium Complexes with 2-Phenoxyoxazole Ancillary Ligands
Authors of publication	Benjamin, Helen; Liang, Jie; Liu, Yu; Geng, Yun; Liu, Xingman; Zhu, Dongxia; Batsanov, Andrei S.; Bryce, Martin R.
Journal of publication	Organometallics
Year of publication	2017
a	13.0961 ± 0.0006 Å
b	14.9991 ± 0.0007 Å
c	17.6182 ± 0.0009 Å
α	100.939 ± 0.0017°
β	105.983 ± 0.0017°
γ	112.871 ± 0.0016°
Cell volume	2888.2 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
195637 (current)	2017-04-21	cif/ Adding structures of 4087258, 4087259, 4087260 via cif-deposit CGI script.	4087260.cif