Information card for entry 7703476

Structure parameters

• Formula: C22 H22 Cl F3 Ir N
• Calculated formula: C22 H22 Cl F3 Ir N
• Title of publication: Steric and electronic effects on acetate-assisted cyclometallation of 2-phenylpyridines at [MCl₂Cp*]₂ (M = Ir, Rh).
• Authors of publication: Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2680 - 2686
• a: 15.581 ± 0.008 Å
• b: 7.767 ± 0.004 Å
• c: 16.411 ± 0.008 Å
• α: 90°
• β: 92.502 ± 0.008°
• γ: 90°
• Cell volume: 1984.1 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0676
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No