Information card for entry 4071362

Structure parameters

• Formula: C20 H27 B F4 Ir N O
• Calculated formula: C20 H27 B F4 Ir N O
• SMILES: [Ir]12345([NH2]C(c6c5cccc6)(C)C)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)C#[O].[B](F)(F)(F)[F-]
• Title of publication: Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands
• Authors of publication: Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 2795
• a: 8.626 ± 0.003 Å
• b: 15.356 ± 0.005 Å
• c: 16.209 ± 0.005 Å
• α: 90°
• β: 91.429 ± 0.004°
• γ: 90°
• Cell volume: 2146.4 ± 1.2 ų
• Cell temperature: 193.1 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 significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No