Information card for entry 4088504

Structure parameters

• Formula: C31 H34 F6 Ir N2 Sb
• Calculated formula: C31 H34 F6 Ir N2 Sb
• SMILES: [Ir]12345([NH2]C(c6c5cccc6)(c5ccccc5)c5ccccc5)([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: 27.299 ± 0.0011 Å
• b: 11.0883 ± 0.0005 Å
• c: 20.9653 ± 0.001 Å
• α: 90°
• β: 106.591 ± 0.001°
• γ: 90°
• Cell volume: 6082 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No