Information card for entry 7203621

Structure parameters

• Common name: bis(kappa$2!(C$2!,N)-2-phenylpyridine)(kappa$2!(N,O)-5,7- diphenyl-8-quinolinolate)iridium(iii)
• Chemical name: bis(κ^2^(C^2^,N)-2-phenylpyridine)(κ^2^(N,O)-5,7-diphenyl-8- quinolinolate)iridium(III)
• Formula: C43 H30 Ir N3 O
• Calculated formula: C43 H30 Ir N3 O
• SMILES: [Ir]123(Oc4c(cc(c5ccc[n]1c45)c1ccccc1)c1ccccc1)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccccc31
• Title of publication: WPLEDs prepared from main-chain fluorene?iridium(iii) polymers
• Authors of publication: Kappaun, Stefan; Eder, Sabrina; Sax, Stefan; Saf, Robert; Mereiter, Kurt; List, Emil J. W.; Slugovc, Christian
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 4389
• a: 16.8813 ± 0.001 Å
• b: 9.6871 ± 0.0006 Å
• c: 20.1273 ± 0.0011 Å
• α: 90°
• β: 105.117 ± 0.001°
• γ: 90°
• Cell volume: 3177.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No