Information card for entry 7128274

Structure parameters

• Formula: C23 H20 F6 I N5 P Rh
• Calculated formula: C23 H20 F6 I N5 P Rh
• SMILES: I[Rh]123([n]4ccccc4c4[n]1c(ccc4)c1[n]2c(ccc1)c1[n]3cccc1)C.[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Synthesis of acetic acid from CO₂, CH₃I and H₂ using a water-soluble electron storage catalyst.
• Authors of publication: Yatabe, Takeshi; Kamitakahara, Kazuki; Higashijima, Kaede; Ando, Tatsuya; Matsumoto, Takahiro; Yoon, Ki-Seok; Enomoto, Takao; Ogo, Seiji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 39
• Pages of publication: 4772 - 4774
• a: 8.54 ± 0.003 Å
• b: 11.981 ± 0.003 Å
• c: 12.495 ± 0.003 Å
• α: 96.879 ± 0.005°
• β: 96.143 ± 0.009°
• γ: 99.625 ± 0.008°
• Cell volume: 1240.8 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0602
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.694
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No