Information card for entry 4088506

Structure parameters

• Formula: C31 H34 F6 N2 Rh Sb
• Calculated formula: C31 H34 F6 N2 Rh Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Rh]12345([NH2]C(c6c5cccc6)(c5ccccc5)c5ccccc5)([N]#CC)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• 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: 17.7331 ± 0.0019 Å
• b: 17.5251 ± 0.0019 Å
• c: 19.791 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6150.5 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.1286
• 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