Crystallography Open Database

Information card for entry 7236822

Preview

Coordinates	7236822.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(tnt-qzl)2Irtpip
Chemical name	Bis(4-(2,6-bis(trifluoromethyl)pyridin-4-yl)quinazoline)(tetraphenylimidodiphosphinate)iridium(III)
Formula	C54 H34 F12 Ir N7 O2 P2
Calculated formula	C54 H32 F12 Ir N7 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	21.9704 ± 0.0009 Å
b	16.6574 ± 0.0007 Å
c	13.7024 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5014.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	7236822.cif