Crystallography Open Database

Information card for entry 7237561

Preview

Coordinates	7237561.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tris[2-(4-methyl-2-quinolinyl)-3-thienyl-]iridium (III)
Chemical name	Tris[2-(4-methyl-2-quinolinyl)-3-thienyl-]iridium (III)
Formula	C40 H30 Cl2 Ir N6 S3
Calculated formula	C43 H30 Cl2 Ir N3 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	11.047 ± 0.002 Å
b	15.964 ± 0.003 Å
c	21.775 ± 0.004 Å
α	83.03 ± 0.03°
β	81.84 ± 0.03°
γ	77.02 ± 0.03°
Cell volume	3688.1 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	7237561.cif