Information card for entry 7007658

Structure parameters

• Formula: C23 H42 Cl F4 N P2 Pd
• Calculated formula: C23 H42 Cl F4 N P2 Pd
• SMILES: [Pd](Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)c1c(F)c(F)nc(F)c1F
• Title of publication: Reactivity of a palladium fluoro complex towards silanes and Bu3SnCH=CH2: Catalytic derivatisation of pentafluoropyridine based on carbon-fluorine bond activation reactions.
• Authors of publication: Braun, Thomas; Izundu, Joseph; Steffen, Andreas; Neumann, Beate; Stammler, Hans-Georg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 43
• Pages of publication: 5118 - 5123
• a: 17.523 ± 0.0002 Å
• b: 12.276 ± 0.0002 Å
• c: 13.061 ± 0.0002 Å
• α: 90°
• β: 103.226 ± 0.0008°
• γ: 90°
• Cell volume: 2735.06 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No