Crystallography Open Database

Information card for entry 7708697

Preview

Coordinates	7708697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H54 B9 Cl4 Ir N4
Calculated formula	C43.999 H53.998 B9 Cl3.998 Ir N4
Title of publication	Three types of charged ligand-based neutral phosphorescent iridium(iii) complexes featuring nido-carborane: synthesis, structures, and solution processed organic light-emitting diode applications
Authors of publication	Li, Qiuxia; Shi, Chao; Huang, Manli; Zhang, Xinghua; Sun, Fangxiang; Zheng, Ying; Yan, Hong; Yang, Chuluo; Yuan, Aihua
Journal of publication	Dalton Transactions
Year of publication	2021
a	12.292 ± 0.003 Å
b	13.345 ± 0.003 Å
c	16.243 ± 0.004 Å
α	97.597 ± 0.003°
β	91.556 ± 0.003°
γ	116.084 ± 0.003°
Cell volume	2361.2 ± 1 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270277 (current)	2021-11-04	cif/ Adding structures of 7708694, 7708695, 7708696, 7708697 via cif-deposit CGI script.	7708697.cif