Information card for entry 4082712

Structure parameters

• Common name: AM1142
• Chemical name: AM1142
• Formula: C18.66667 H27 B2 F8 Ir N0.66667 O3.33333
• Calculated formula: C18.6667 H27 B2 F8 Ir N0.666667 O3.33333
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ir]167892345[c]2([c]1([cH]6[cH]7[cH]8[cH]92)OC)OC)C)C)C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N(=O)(=O)C
• Title of publication: Arene Activation at Iridium Facilitates C–O Bond Cleavage of Aryl Ethers
• Authors of publication: Miller, Alexander J. M.; Kaminsky, Werner; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1245
• a: 26.386 ± 0.004 Å
• b: 8.9811 ± 0.0014 Å
• c: 30.65 ± 0.004 Å
• α: 90°
• β: 105.735 ± 0.007°
• γ: 90°
• Cell volume: 6991.1 ± 1.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No