Information card for entry 7103858

Structure parameters

• Common name: Bromobis(triphenylphosphine)(N-succinimide)palladium(ii)
• Formula: C40 H34 Br N O2 P2 Pd
• Calculated formula: C40 H34 Br N O2 P2 Pd
• SMILES: [Pd](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)CCC1=O
• Title of publication: Bromobis(triphenylphosphine)(N-succinimide)palladium(II) as a novel catalyst for Stille cross-coupling reactions
• Authors of publication: Crawforth, Catherine M.; Burling, Suzanne; Fairlamb, Ian J. S.; Taylor, Richard J. K.; Whitwood, Adrian C.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2194 - 2195
• a: 12.3222 ± 0.0011 Å
• b: 19.88 ± 0.002 Å
• c: 13.6371 ± 0.0013 Å
• α: 90°
• β: 90.182 ± 0.002°
• γ: 90°
• Cell volume: 3340.6 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 386 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No