Information card for entry 7237564

Structure parameters

• Chemical name: Tris[2-(4-methyl-2-quinolinyl)-3-thienyl-]iridium(III)
• Formula: C42 H30 Ir N3 S3
• Calculated formula: C42 H30 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: 10.654 ± 0.002 Å
• b: 11.667 ± 0.002 Å
• c: 14.179 ± 0.003 Å
• α: 91.75 ± 0.03°
• β: 103.13 ± 0.03°
• γ: 103.6 ± 0.03°
• Cell volume: 1661.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No