Crystallography Open Database

Information card for entry 7237346

Preview

Coordinates	7237346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H36 Ir N3 P2 S2
Calculated formula	C46 H36 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	16.0999 ± 0.0009 Å
b	13.7659 ± 0.0008 Å
c	17.3693 ± 0.001 Å
α	90°
β	92.617 ± 0.001°
γ	90°
Cell volume	3845.5 ± 0.4 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	0.0494
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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.	7237346.cif