Information card for entry 7237562

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 ų
• 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 Fobs: No