Information card for entry 7720796

Structure parameters

• Common name: (Egan)IrCH3 . 2 CH2Cl2
• Chemical name: (1,2-ethanediylbis-(2-(3,5-di-tert-butyl-2-oxy)phenylimino)benzoate)- methyliridium bis-dichloromethane solvate
• Formula: C47 H59 Cl4 Ir N2 O6
• Calculated formula: C47 H59 Cl4 Ir N2 O6
• Title of publication: Iridium complexes of a chelating bis(iminoxolene): augmentation of metal-metal π bonding by metal-ligand π bonding.
• Authors of publication: Grandstaff, Kristin D.; Carbonel, Halen; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2088 - 2099
• a: 9.4851 ± 0.0003 Å
• b: 15.5602 ± 0.0006 Å
• c: 17.2975 ± 0.0006 Å
• α: 110.929 ± 0.0012°
• β: 93.6788 ± 0.0012°
• γ: 95.5073 ± 0.0014°
• Cell volume: 2360.16 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0478
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No