Information card for entry 7118737

Structure parameters

• Formula: C24 H44 Br F10 P2 Pd S2
• Calculated formula: C24 H44 Br F10 P2 Pd S2
• SMILES: [Pd](Br)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)c1cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c1
• Title of publication: Palladium-mediated borylation of pentafluorosulfanyl functionalized compounds: the crucial role of metal fluorido complexes.
• Authors of publication: Berg, Claudia; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 20
• Pages of publication: 3931 - 3934
• a: 10.6334 ± 0.0007 Å
• b: 12.3442 ± 0.0008 Å
• c: 12.6391 ± 0.0008 Å
• α: 102.884 ± 0.003°
• β: 91.323 ± 0.002°
• γ: 90.704 ± 0.002°
• Cell volume: 1616.56 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0661
• 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: No
• Has Fobs: No