Crystallography Open Database

Information card for entry 7713574

Preview

Coordinates	7713574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H59 B F24 Ir N4 S2
Calculated formula	C76 H52 B F24 Ir N4 S2
Title of publication	Efficient 1-(thiophen-2-yl)isoquinoline-based ionic iridophosphors with bulky counterion for solution-processed deep-red electroluminescence
Authors of publication	Tao, Peng; Zheng, Xiao-Kang; Jiang, He; Sheng, Xinghao; Deng, Yongjing; Chan, Yuk Yin Ian; Zhao, Qiang; Wong, Wai-Yeung Raymond
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.392 ± 0.0002 Å
b	34.9915 ± 0.0007 Å
c	20.6937 ± 0.0005 Å
α	90°
β	95.87 ± 0.001°
γ	90°
Cell volume	7485.4 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7713574.html