Information card for entry 7718300

Structure parameters

• Common name: (Briq)2IrMe
• Chemical name: (methyl)bis(N-(2,6-dibromophenyl)-4,6-di-tert-butyl-iminoxolene)iridium
• Formula: C41 H49 Br4 Ir N2 O2
• Calculated formula: C41 H49 Br4 Ir N2 O2
• 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: 14.4389 ± 0.0012 Å
• b: 10.055 ± 0.0008 Å
• c: 29.257 ± 0.002 Å
• α: 90°
• β: 101.06 ± 0.002°
• γ: 90°
• Cell volume: 4168.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No