Information card for entry 4071356

Structure parameters

• Formula: C30 H33 Cl3 Ir N
• Calculated formula: C30 H31 Cl3 Ir N
• SMILES: [Ir]12345(Cl)([NH2]C(c6c5cccc6)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.ClCCl
• 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: 11.557 ± 0.004 Å
• b: 11.913 ± 0.004 Å
• c: 20.31 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2796.3 ± 1.7 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.1037
• 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