Information card for entry 4517333

Structure parameters

• Formula: C50 H53.94 B F24 P2 Rh
• Calculated formula: C50 H53.9326 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: 13.4962 ± 0.0005 Å
• b: 15.0316 ± 0.0004 Å
• c: 15.0479 ± 0.0003 Å
• α: 86.52 ± 0.002°
• β: 82.231 ± 0.002°
• γ: 64.562 ± 0.003°
• Cell volume: 2731.48 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0462
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No