Information card for entry 4089183

Structure parameters

• Formula: C38 H40 N2 O P Rh
• Calculated formula: C38 H40 N2 O P Rh
• SMILES: [Rh]12(=C(N3Cc4c(C3)cccc4)CCCCCCC)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: 9.4911 ± 0.0006 Å
• b: 12.682 ± 0.0008 Å
• c: 13.2312 ± 0.0007 Å
• α: 82.5351 ± 0.0015°
• β: 83.8707 ± 0.0016°
• γ: 78.7654 ± 0.0017°
• Cell volume: 1543.39 ± 0.16 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No