Crystallography Open Database

Information card for entry 7237345

Preview

Coordinates	7237345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H34 F6 Ir N3 P2 S2
Calculated formula	C48 H34 F6 Ir N3 P2 S2
Title of publication	Iridium(iii) phosphors with bis(diphenylphorothioyl)amide ligand for efficient green and sky-blue OLEDs with EQE of nearly 28%
Authors of publication	Xia, Jing-Cheng; Liang, Xiao; Yan, Zhi-Ping; Wu, Zheng-Guang; Zhao, Yue; Zheng, You-Xuan; Zhang, Wen-Wei
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	33
Pages of publication	9010
a	11.6027 ± 0.0005 Å
b	16.4388 ± 0.0007 Å
c	23.841 ± 0.001 Å
α	90°
β	101.719 ± 0.001°
γ	90°
Cell volume	4452.5 ± 0.3 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	0.0587
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
237618 (current)	2019-11-24	cif/ Adding structures of 7237345, 7237346 via cif-deposit CGI script.	7237345.cif