Crystallography Open Database

Information card for entry 7057552

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Coordinates	7057552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 F5.98 Ir N9 O2 P2
Calculated formula	C42 H28 F5.977 Ir N9 O2 P2
Title of publication	Efficient bluish green electroluminescence of iridium complexes with good electron mobility
Authors of publication	Han, Hua-Bo; Wu, Zheng-Guang; Zheng, You-Xuan
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	16
Pages of publication	13351
a	11.5095 ± 0.0006 Å
b	16.3355 ± 0.0009 Å
c	22.6258 ± 0.0012 Å
α	90°
β	99.99 ± 0.001°
γ	90°
Cell volume	4189.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0437
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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