Information card for entry 4517332

Structure parameters

• Formula: C101 H106 B2 Cl2 F48 P4 Rh2
• Calculated formula: C101 H106 B2 Cl2 F48 P4 Rh2
• 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: 24.0564 ± 0.0002 Å
• b: 18.6694 ± 0.0002 Å
• c: 12.3508 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5546.97 ± 0.09 ų
• Cell temperature: 150 ± 0.13 K
• Ambient diffraction temperature: 150 ± 0.13 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No