Crystallography Open Database

Information card for entry 7233187

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Coordinates	7233187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H26 F12 Ir N4 P
Calculated formula	C38 H26 F12 Ir N4 P
SMILES	[Ir]123([n]4ccccc4c4cc(ccc24)C(F)(F)F)([n]2c(c4c3ccc(c4)C(F)(F)F)cccc2)[n]2ccc(c3c2c2[n]1ccc(c2cc3)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Pulsed-current versus constant-voltage light-emitting electrochemical cells with trifluoromethyl-substituted cationic iridium(III) complexes
Authors of publication	Nail M. Shavaleev; Rosario Scopelliti; Michael Gratzel; Mohammad K. Nazeeruddin; Antonio Pertegas; Cristina Roldan-Carmona; Daniel Tordera; Henk J. Bolink
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	2241 - 2248
a	19.198 ± 0.003 Å
b	68.958 ± 0.01 Å
c	11.0075 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	14572 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0181
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0359
Weighted residual factors for all reflections included in the refinement	0.0364
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
217119 (current)	2019-07-17	cif/ Adding structures of 7233187 via cif-deposit CGI script.	7233187.cif