Information card for entry 7718301

Structure parameters

• Common name: [CoCp2][(Briq)2Ir] . 2 C6H6
• Chemical name: Cobaltocenium bis(N-(2,6-dibromophenyl)-4,6-di-tert-butyl-iminoxolene)iridate dibenzene solvate
• Formula: C62 H68 Br4 Co Ir N2 O2
• Calculated formula: C62 H68 Br4 Co 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: 13.7924 ± 0.0005 Å
• b: 19.3444 ± 0.0006 Å
• c: 22.2366 ± 0.0008 Å
• α: 90°
• β: 104.27 ± 0.001°
• γ: 90°
• Cell volume: 5749.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No