Information card for entry 7718295

Structure parameters

• Common name: Briq
• Chemical name: (E)-2,4-di-tert-butyl-6-((2,6-dibromophenyl)imino)cyclohexa-2,4-dien-1-one
• Formula: C20 H23 Br2 N O
• Calculated formula: C20 H23 Br2 N O
• 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: 12.1021 ± 0.0017 Å
• b: 11.6583 ± 0.0016 Å
• c: 13.935 ± 0.002 Å
• α: 90°
• β: 99.375 ± 0.002°
• γ: 90°
• Cell volume: 1939.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No