Information card for entry 7720798

Structure parameters

• Common name: (A,C)-(Egan)2Ir2 . C6H6
• Chemical name: (A,C)-Bis(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenylimino)-benzoate)diiridium benzene solvate
• Formula: C94 H110 Ir2 N4 O12
• Calculated formula: C94 H110 Ir2 N4 O12
• 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: 13.957 ± 0.001 Å
• b: 13.957 ± 0.001 Å
• c: 21.62 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4211.5 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No