Crystallography Open Database

Information card for entry 7702242

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Coordinates	7702242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H57 Cl2 F3 Ir N7
Calculated formula	C80 H57 Cl2 F3 Ir N7
Title of publication	Novel phosphorescent triptycene-based Ir(iii) complexes for organic light-emitting diodes.
Authors of publication	Wang, Yue; Xiao, Yu-Ping; Zhou, Yue-Yue; Hu, Cheng-Gui; Tong, Bi-Hai; Ye, Shang-Hui; Mei, Qun-Bo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	43
Pages of publication	16289 - 16297
a	12.9712 ± 0.0006 Å
b	28.4832 ± 0.0012 Å
c	22.9004 ± 0.001 Å
α	90°
β	105.719 ± 0.0013°
γ	90°
Cell volume	8144.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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