Information card for entry 7128275

Structure parameters

• Formula: C21 H14 F3 N4 O3 Rh S
• Calculated formula: C21 H14 F3 N4 O3 Rh S
• 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: 28.4028 ± 0.0006 Å
• b: 25.8252 ± 0.0006 Å
• c: 6.40719 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4699.7 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No