Information card for entry 7710762

Structure parameters

• Formula: C31 H61 F6 O P3 Pd
• Calculated formula: C31 H61 F6 O P3 Pd
• Title of publication: Heterolytic carbon–iodine bond cleavage by a palladium(i) metalloradical
• Authors of publication: Sinclair, Matthew J. G.; Chaplin, Adrian B.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 29.1657 ± 0.0004 Å
• b: 15.01941 ± 0.00018 Å
• c: 17.2918 ± 0.0002 Å
• α: 90°
• β: 106.794 ± 0.0013°
• γ: 90°
• Cell volume: 7251.62 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No