Information card for entry 7720799

Structure parameters

• Common name: [Cp2Co][(Egan)Ir] . 2.5 THF
• Chemical name: Cobaltocenium (1,2-ethanediylbis-(2-(3,5-di-tert-butyl-2-oxy)phenyl- imino)benzoate)iridate semiquin-tetrahydrofuran solvate
• Formula: C64 H82 Co Ir N2 O8.5
• Calculated formula: C64 H82 Co Ir N2 O8.5
• 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: 22.638 ± 0.0019 Å
• b: 19.1554 ± 0.0016 Å
• c: 27.048 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11729.1 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No