Information card for entry 4088503

Structure parameters

• Formula: C21 H30 F6 Ir N2 Sb
• Calculated formula: C21 H30 F6 Ir N2 Sb
• SMILES: [Ir]12345([NH2]C(c6c5cccc6)(C)C)([N]#CC)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[Sb](F)(F)([F-])(F)(F)F
• Title of publication: Cationic Iridium and Rhodium Complexes with C‒N Chelating Primary Benzylic Amine Ligands as Potent Catalysts for Hydrogenation of Unsaturated Carbon‒Nitrogen Bonds
• Authors of publication: Sato, Yasuhiro; Kayaki, Yoshihito; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 9
• Pages of publication: 1257
• a: 8.616 ± 0.0017 Å
• b: 8.9487 ± 0.0016 Å
• c: 15.58 ± 0.003 Å
• α: 90°
• β: 91.808 ± 0.002°
• γ: 90°
• Cell volume: 1200.7 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections included in the refinement: 0.088
• 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