Information card for entry 2243349

Structure parameters

• Chemical name: Di-μ~2~-chlorido-bis{bis[2-(5-fluoropyridin-2-yl)-9,9-dihexyl-9<i>H</i>-fluoren-3-yl]iridium} pentane 0.3-solvate
• Formula: C121.5 H143.6 Cl2 F4 Ir2 N4
• Calculated formula: C121.5 H143.6 Cl2 F4 Ir2 N4
• Title of publication: Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants
• Authors of publication: M'hamedi, Ahmed; Batsanov, Andrei S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• Pages of publication: 392 - 399
• a: 12.2744 ± 0.0007 Å
• b: 17.6132 ± 0.001 Å
• c: 25.3966 ± 0.0015 Å
• α: 105.119 ± 0.002°
• β: 93.787 ± 0.002°
• γ: 90.779 ± 0.002°
• Cell volume: 5286.2 ± 0.5 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: 0.0807
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes