Information card for entry 2023272

Structure parameters

• Chemical name: (η^2^:η^2^-Cycloocta-1,5-diene)(η^6^-toluene)iridium(I) tri-μ-chlorido-bis({3-[(di-<i>tert</i>-butylphosphanyl)oxy]-9,10-dioxoanthracen-2-yl}hydridoiridium(III)) toluene monosolvate,
• Formula: C66 H78 Cl3 Ir3 O6 P2
• Calculated formula: C66 H78 Cl3 Ir3 O6 P2
• Title of publication: Crystal structures of the (η2:η2-cycloocta-1,5-diene)(η6-toluene)iridium(I) cation and μ-chlorido-iridium(III) complexes of 2-(phosphinito)- and 2-(phosphinomethyl)anthraquinone ligands
• Authors of publication: Thackeray, Sachin; Mahoney, James; Arrington, Ashleigh; Wilklow-Marnell, Miles; Brennessel, William W.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 10
• Pages of publication: 1101 - 1109
• a: 13.15698 ± 0.00017 Å
• b: 13.5836 ± 0.00018 Å
• c: 17.547 ± 0.0003 Å
• α: 88.5722 ± 0.0012°
• β: 87.003 ± 0.0012°
• γ: 79.7149 ± 0.0011°
• Cell volume: 3080.99 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0432
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No