Information card for entry 4517331

Structure parameters

• Formula: C54 H58 B F24 P2 Rh
• Calculated formula: C54 H58 B F24 P2 Rh
• Title of publication: Solid‒State Molecular Organometallic Catalysis in Gas/Solid Flow (Flow-SMOM) as Demonstrated by Efficient Room Temperature and Pressure 1-Butene Isomerization
• Authors of publication: Martínez-Martínez, Antonio J.; Royle, Cameron G.; Furfari, Samantha K.; Suriye, Kongkiat; Weller, Andrew S.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 1984 - 1992
• a: 17.59335 ± 0.00007 Å
• b: 18.77356 ± 0.0001 Å
• c: 35.33268 ± 0.00014 Å
• α: 90°
• β: 91.6093 ± 0.0004°
• γ: 90°
• Cell volume: 11665.4 ± 0.09 ų
• Cell temperature: 150.02 ± 0.18 K
• Ambient diffraction temperature: 150.02 ± 0.18 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No