Information card for entry 7118741

Structure parameters

• Formula: C24 H45 F11 P2 Pd S2
• Calculated formula: C24 H45 F11 P2 Pd S2
• SMILES: [Pd]([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)([P](C(C)C)(C(C)C)C(C)C)F
• 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: 10.779 ± 0.002 Å
• b: 12.164 ± 0.003 Å
• c: 12.241 ± 0.003 Å
• α: 80.079 ± 0.008°
• β: 89.555 ± 0.007°
• γ: 88.284 ± 0.008°
• Cell volume: 1580.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0328
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No