Information card for entry 4087067

Structure parameters

• Formula: C22 H24 Cl3 F4 Ir N2
• Calculated formula: C22 H24 Cl3 F4 Ir N2
• Title of publication: Cyclometalation via Carbon‒Fluorine Bond Activation Induced by Silver Particles
• Authors of publication: Thomas, Hayden P.; Wang, Yue-Ming; Lorenzini, Fabio; Coles, Simon J.; Horton, Peter N.; Marr, Andrew C.; Saunders, Graham C.
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 11.1891 ± 0.0008 Å
• b: 15.6168 ± 0.0011 Å
• c: 14.386 ± 0.001 Å
• α: 90°
• β: 109.252 ± 0.002°
• γ: 90°
• Cell volume: 2373.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0773
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No