Crystallography Open Database

Information card for entry 7059190

Preview

Coordinates	7059190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H19 F4 Ir N6
Calculated formula	C28 H19 F4 Ir N6
Title of publication	Efficient blue, green and red iridium(iii) complexes with noncovalently-linked pyrazole/pyrazolide rings for organic light-emitting diodes
Authors of publication	Lu, Jun-Jian; Liang, Xiao; Luo, Xu-Feng; Wu, Zheng-Guang; Zheng, You-Xuan
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	2
Pages of publication	530 - 536
a	12.558 ± 0.002 Å
b	13.064 ± 0.002 Å
c	15.875 ± 0.003 Å
α	90°
β	102.849 ± 0.003°
γ	90°
Cell volume	2539.2 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
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	0.0606
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0621
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
257749 (current)	2020-10-06	cif/ Updating files of 7059190 Original log message: Adding full bibliography for 7059190.cif.	7059190.cif
246393	2020-01-01	cif/ Adding structures of 7059190 via cif-deposit CGI script.	7059190.cif