Information card for entry 4070208

Structure parameters

• Formula: C15 H20 F5 Ir
• Calculated formula: C15 H20 F5 Ir
• SMILES: [Ir]123456([c]7([c]4([c]3([c]2([c]17C)C)C)C)C)([CH2]=[CH]5C6)C(F)(F)C(F)(F)F
• Title of publication: A Monomeric Perfluoroalkyl Iridium(III) Amido Complex with an Ir═N Double Bond and Its Reactions To Activate sp3Carbon−Hydrogen Bonds at Room Temperature
• Authors of publication: Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4646
• a: 8.373 ± 0.002 Å
• b: 14.021 ± 0.004 Å
• c: 14.764 ± 0.004 Å
• α: 64.279 ± 0.003°
• β: 76.969 ± 0.003°
• γ: 88.856 ± 0.004°
• Cell volume: 1515.3 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No