Information card for entry 7048014

Structure parameters

• Formula: C88 H68 F18 Ir2 N10 O4
• Calculated formula: C88 H68 F18 Ir2 N10 O4
• Title of publication: Highly luminescent 2-phenylpyridine-free diiridium complexes with bulky 1,2-diarylimidazole cyclometalating ligands.
• Authors of publication: Congrave, Daniel G.; Batsanov, Andrei S.; Bryce, Martin R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16524 - 16533
• a: 20.0605 ± 0.001 Å
• b: 13.1557 ± 0.0006 Å
• c: 30.6755 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8095.6 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No