Crystallography Open Database

Information card for entry 4348777

Preview

Coordinates	4348777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H43 F12 Ir N4 O2.5 P
Calculated formula	C44 H43 F12 Ir N4 O2.5 P
Title of publication	Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands.
Authors of publication	Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortı, Enrique; Samuel, Ifor D. W.; Bolink, Henk J.; Zysman-Colman, Eli
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10361 - 10376
a	16.835 ± 0.002 Å
b	11.8886 ± 0.0013 Å
c	23.435 ± 0.003 Å
α	90°
β	92.968 ± 0.003°
γ	90°
Cell volume	4684.1 ± 1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
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	0.0589
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233327 (current)	2019-11-23	cif/ Adding structures of 4348776, 4348777, 4348778, 4348779 via cif-deposit CGI script.	4348777.cif