Information card for entry 4089181

Structure parameters

• Formula: C23 H17 N O2 P Rh
• Calculated formula: C23 H17 N O2 P Rh
• SMILES: [Rh]12(C#[O])Oc3cccc4ccc([n]1c34)C[P]2(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Reactivity of Phosphine-Quinolinolato Rhodium Complexes: Intermediacy of Vinylidene and (Amino)carbene Complexes in the Catalytic Hydroamination of Terminal Alkynes
• Authors of publication: Takano, Shotaro; Kochi, Takuya; Kakiuchi, Fumitoshi
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 24
• Pages of publication: 4112
• a: 11.9073 ± 0.0015 Å
• b: 13.9158 ± 0.0016 Å
• c: 12.1176 ± 0.0016 Å
• α: 90°
• β: 109.92 ± 0.004°
• γ: 90°
• Cell volume: 1887.7 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No