Information card for entry 7236749

Structure parameters

• Formula: C113 H115 Cl Ir2 N6 O2
• Calculated formula: C113 H115 Cl Ir2 N6 O2
• Title of publication: Bright green PhOLEDs using cyclometalated diiridium(iii) complexes with bridging oxamidato ligands as phosphorescent dopants
• Authors of publication: M’hamedi, Ahmed; Fox, Mark A.; Batsanov, Andrei S.; Al-Attar, Hameed A.; Monkman, Andrew P.; Bryce, Martin R.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 27
• Pages of publication: 6777
• a: 12.0305 ± 0.0006 Å
• b: 12.8786 ± 0.0006 Å
• c: 16.9004 ± 0.0008 Å
• α: 73.0878 ± 0.0016°
• β: 70.7745 ± 0.0017°
• γ: 78.2922 ± 0.0017°
• Cell volume: 2348.8 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0588
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No