Crystallography Open Database

Information card for entry 7236749

Preview

Coordinates	7236749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C113 H115 Cl Ir2 N6 O2
Calculated formula	C113 H115 Cl Ir2 N6 O2
Title of publication	Bright green PhOLEDs using cyclometalated diiridium(iii) complexes with bridging oxamidato ligands as phosphorescent dopants
Authors of publication	M’hamedi, Ahmed; Fox, Mark A.; Batsanov, Andrei S.; Al-Attar, Hameed A.; Monkman, Andrew P.; Bryce, Martin R.
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	27
Pages of publication	6777
a	12.0305 ± 0.0006 Å
b	12.8786 ± 0.0006 Å
c	16.9004 ± 0.0008 Å
α	73.0878 ± 0.0016°
β	70.7745 ± 0.0017°
γ	78.2922 ± 0.0017°
Cell volume	2348.8 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0588
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
236477 (current)	2019-11-24	cif/ Adding structures of 7236748, 7236749 via cif-deposit CGI script.	7236749.cif