Information card for entry 7236748

Structure parameters

• Chemical name: Tetrakis[2-phenyl-4-(2,4,6-trimethylphenyl)pyridine-C2,N?]-bis(?-oxamidato-N,N?,O,O?)diiridium(III)
• Formula: C88 H88 Ir2 N6 O2
• Calculated formula: C82 H74 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: 15.122 ± 0.003 Å
• b: 24.292 ± 0.004 Å
• c: 19.265 ± 0.005 Å
• α: 90°
• β: 92.237 ± 0.002°
• γ: 90°
• Cell volume: 7071 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No