Information card for entry 7043192

Structure parameters

• Chemical name: [Cp*Ir(H)(imine)2][BArF4]
• Formula: C50 H43.01 B F24 Ir N2
• Calculated formula: C50 H43.016 B 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: 12.7119 ± 0.0015 Å
• b: 12.8605 ± 0.0016 Å
• c: 17.518 ± 0.002 Å
• α: 94.122 ± 0.003°
• β: 110.854 ± 0.003°
• γ: 103.523 ± 0.003°
• Cell volume: 2563.9 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0448
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No