Crystallography Open Database

Information card for entry 7106085

Preview

Coordinates	7106085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H32 F4 Ir N4
Calculated formula	C35 H31 F4 Ir N4
SMILES	c1(F)c2c([Ir]34([n]5ccccc5c5c3cc(F)cc5F)([n]3c2cccc3)[N](=C(N4C(C)C)c2ccccc2)C(C)C)cc(F)c1
Title of publication	A phosphorescent material with high and balanced carrier mobility for efficient OLEDs
Authors of publication	Tai Peng; Yu Yang; Yu Liu; Dongge Ma; Zhaomin Hou; Yue Wang
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	3150
a	10.465 ± 0.002 Å
b	10.914 ± 0.002 Å
c	14.783 ± 0.003 Å
α	97.85 ± 0.03°
β	102.09 ± 0.03°
γ	103.01 ± 0.03°
Cell volume	1578.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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