Information card for entry 7703478

Structure parameters

• Formula: C21 H22 Cl F Ir N
• Calculated formula: C21 H22 Cl F 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: 7.477 ± 0.003 Å
• b: 14.699 ± 0.005 Å
• c: 17.404 ± 0.006 Å
• α: 90°
• β: 101.337 ± 0.006°
• γ: 90°
• Cell volume: 1875.5 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No