Information card for entry 4089182

Structure parameters

• Formula: C56 H44 Fe N2 O2 P2 Rh2
• Calculated formula: C56 H44 Fe N2 O2 P2 Rh2
• SMILES: [Rh]1234[Rh]5(C1=C[c]16[cH]7[cH]8[cH]9[cH]1[Fe]1%10%11%126789[cH]6[cH]1[cH]%10[cH]%11[cH]%126)([P](Cc1ccc6cccc(O2)c6[n]31)(c1ccccc1)c1ccccc1)Oc1cccc2ccc([n]5c12)C[P]4(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: 11.565 ± 0.003 Å
• b: 13.308 ± 0.003 Å
• c: 15.714 ± 0.004 Å
• α: 76.492 ± 0.005°
• β: 77.381 ± 0.005°
• γ: 79.321 ± 0.005°
• Cell volume: 2271.7 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No