Crystallography Open Database

Information card for entry 7233137

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Coordinates	7233137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 F4 Ir N4 O2
Calculated formula	C33 H33 F4 Ir N4 O2
Title of publication	High-performance pure blue phosphorescent OLED using a novel bis-heteroleptic iridium(III) complex with fluorinated bipyridyl ligands
Authors of publication	Florian Kessler; Yuichiro Watanabe; Hisahiro Sasabe; Hiroshi Katagiri; Md. K. Nazeeruddin; Michael Gratzel; Junji Kidobc
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	1070 - 1075
a	16.5479 ± 0.0018 Å
b	10.9047 ± 0.001 Å
c	17.9038 ± 0.0018 Å
α	90°
β	103.448 ± 0.004°
γ	90°
Cell volume	3142.2 ± 0.5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.24
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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