Information card for entry 7043191

Structure parameters

• Chemical name: iridium(imine)6-membered
• Formula: C52 H47 B Cl0.22 F24 Ir N2
• Calculated formula: C52 H47 B Cl0.218 F24 Ir N2
• Title of publication: Dehydrogenation of Cyclic Amines by a Coordinatively Unsaturated Cp*Ir(III) Phosphoramidate Complex
• Authors of publication: Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.7608 ± 0.0013 Å
• b: 13.368 ± 0.0015 Å
• c: 17.248 ± 0.0018 Å
• α: 93.337 ± 0.002°
• β: 110.084 ± 0.002°
• γ: 103.367 ± 0.002°
• Cell volume: 2657.8 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No