Crystallography Open Database

Information card for entry 7236447

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Coordinates	7236447.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Iridium(benzoquinoline)2(2,2?-biquinoline)][hexafluorophosphate]
Formula	C48 H36 F6 Ir N4 O2 P
Calculated formula	C48 H36 F6 Ir N4 O2 P
Title of publication	Long term stable deep red light-emitting electrochemical cells based on an emissive, rigid cationic Ir(iii) complex
Authors of publication	Namanga, Jude E.; Gerlitzki, Niels; Mallick, Bert; Mudring, Anja-Verena
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	12
Pages of publication	3049
a	9.6769 ± 0.0007 Å
b	28.388 ± 0.003 Å
c	15.0283 ± 0.0011 Å
α	90°
β	94.366 ± 0.009°
γ	90°
Cell volume	4116.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
235524 (current)	2019-11-23	cif/ Adding structures of 7236447 via cif-deposit CGI script.	7236447.cif