Crystallography Open Database

Information card for entry 7233829

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Coordinates	7233829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 F6 Ir N4 P
Calculated formula	C42 H30 F6 Ir N4 P
Title of publication	Bright and stable light-emitting electrochemical cells based on an intramolecularly pi-stacked, 2-naphthyl-substituted iridium complex
Authors of publication	Gabriel E. Schneider; Antonio Pertegas; Edwin C. Constable; Catherine E. Housecroft; Nik Hostettler; Collin D. Morris; Jennifer A. Zampese; Henk J. Bolink; Jose M. Junquera-Hernandez; Enrique Orti; Michele Sessolo
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	7047 - 7055
a	23.8655 ± 0.001 Å
b	34.2298 ± 0.001 Å
c	17.5645 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	14348.6 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
218259 (current)	2019-09-13	cif/ Adding structures of 7233829 via cif-deposit CGI script.	7233829.cif