Information card for entry 7720797

Structure parameters

• Common name: cis-β-(Egan)IrCl
• Chemical name: cis-β-κ5-(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenyl)imino)- benzoate)(chloro)iridium acetone solvate
• Formula: C47 H58 Cl Ir N2 O7
• Calculated formula: C47 H58 Cl Ir N2 O7
• 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: 10.0999 ± 0.0003 Å
• b: 14.1374 ± 0.0004 Å
• c: 16.4491 ± 0.0005 Å
• α: 99.418 ± 0.002°
• β: 94.139 ± 0.002°
• γ: 100.769 ± 0.002°
• Cell volume: 2263.41 ± 0.12 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: 0.0427
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No