Information card for entry 7718297

Structure parameters

• Common name: (Briq)2IrI . C3H6O
• Chemical name: Bis(N-(2,6-dibromo)-4,6-di-tert-butyl-iminoxolene)iodoiridium acetone solvate
• Formula: C43 H52 Br4 I Ir N2 O3
• Calculated formula: C43 H52 Br4 I Ir N2 O3
• Title of publication: Bis(iminoxolene)iridium complexes over four oxidation states: from sodium-iridium bonding to ligand-centered radicals.
• Authors of publication: Nugraha, Kahargyan; Do, Thomas H.; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 5896 - 5905
• a: 10.202 ± 0.002 Å
• b: 15.082 ± 0.003 Å
• c: 29.489 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4537.4 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No