Crystallography Open Database

Information card for entry 7236821

Preview

Coordinates	7236821.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(tnt-iq)2Irtpip
Chemical name	Bis(1-(2,6-bis(trifluoromethyl)pyridin-4-yl)isoquinoline)(tetraphenylimidodiphosphinate)iridium(III)
Formula	C56 H34 F12 Ir N5 O2 P2
Calculated formula	C56 H34 F12 Ir N5 O2 P2
Title of publication	Highly efficient orange-red electroluminescence of iridium complexes with good electron mobility
Authors of publication	Han, Hua-Bo; Cui, Rong-Zhen; Jing, Yi-Ming; Lu, Guang-Zhao; Zheng, You-Xuan; Zhou, Liang; Zuo, Jing-Lin; Zhang, Hongjie
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	32
Pages of publication	8150
a	16.542 ± 0.0013 Å
b	13.6955 ± 0.0011 Å
c	23.0919 ± 0.0019 Å
α	90°
β	97.4996 ± 0.0013°
γ	90°
Cell volume	5186.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0501
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236545 (current)	2019-11-24	cif/ Adding structures of 7236821, 7236822 via cif-deposit CGI script.	7236821.cif