Information card for entry 4071359

Structure parameters

• Formula: C19 H26 Ir N
• Calculated formula: C19 H26 Ir N
• SMILES: [Ir]12345(NC(c6c5cccc6)(C)C)[c]5([c]1([c]2([c]3([c]C45C)C)C)C)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: 8.612 ± 0.006 Å
• b: 22.988 ± 0.016 Å
• c: 9.451 ± 0.007 Å
• α: 90°
• β: 112.772 ± 0.006°
• γ: 90°
• Cell volume: 1725 ± 2 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No