Information card for entry 7237563

Structure parameters

• Common name: Tris[5-bromo-2-(4-methyl-2-quinolinyl)-3-thienyl]iridium (III)
• Chemical name: Tris[5-bromo-2-(4-methyl-2-quinolinyl)-3-thienyl]iridium (III)
• Formula: C43 H27 Br3 Cl1.82 Ir N3 S3
• Calculated formula: C43 H27 Br3 Cl1.827 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: 11.288 ± 0.002 Å
• b: 13.007 ± 0.003 Å
• c: 14.445 ± 0.003 Å
• α: 99.21 ± 0.03°
• β: 92.61 ± 0.03°
• γ: 97.05 ± 0.03°
• Cell volume: 2073.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No