Information card for entry 4071361

Structure parameters

• Formula: C22 H32 Ir N O
• Calculated formula: C22 H32 Ir N O
• SMILES: [Ir]12345([NH2]C(c6c5cccc6)(C)C)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)CC(=O)C
• 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: 9.092 ± 0.004 Å
• b: 9.101 ± 0.005 Å
• c: 25.409 ± 0.011 Å
• α: 90.061 ± 0.008°
• β: 90.049 ± 0.004°
• γ: 104.137 ± 0.01°
• Cell volume: 2038.8 ± 1.7 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No