Information card for entry 4071358

Structure parameters

• Formula: C29 H30 Ir N
• Calculated formula: C29 H30 Ir N
• SMILES: [Ir]12345(NC(c6c5cccc6)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)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: 7.87 ± 0.003 Å
• b: 10.155 ± 0.004 Å
• c: 15.749 ± 0.007 Å
• α: 73.934 ± 0.012°
• β: 84.275 ± 0.012°
• γ: 74.846 ± 0.015°
• Cell volume: 1166.9 ± 0.8 ų
• Cell temperature: 193.1 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 significantly intense reflections: 0.0249
• Weighted residual factors for all reflections included in the refinement: 0.0654
• 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