Crystallography Open Database

Information card for entry 7237562

Preview

Coordinates	7237562.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tris[2-(4-(4-bromophenyl)-2-quinolinyl)-3-thienyl-]iridium (III)
Chemical name	Tris[2-(4-(4-bromophenyl)-2-quinolinyl)-3-thienyl-]iridium (III)
Formula	C57 H33 Br3 Ir N3 O0.17 S3
Calculated formula	C57 H33 Br3 Ir N3 O0.1667 S3
Title of publication	Organic light-emitting diodes comprising highly luminescent red-emitting dendrimers with carbazole-based dendrons
Authors of publication	Russell, Steven M.; Brewer, Anthony M.; Stoltzfus, Dani M.; Saghaei, Jaber; Burn, Paul L.
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	16
Pages of publication	4681
a	17.712 ± 0.003 Å
b	17.712 ± 0.003 Å
c	17.804 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	4837.1 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237773 (current)	2019-11-24	cif/ Adding structures of 7237561, 7237562, 7237563, 7237564 via cif-deposit CGI script.	7237562.cif