Information card for entry 7048600

Structure parameters

• Formula: C52 H52.2 F6 N3 O6.6 P2 Pd S2
• Calculated formula: C52 H51 F6 N3 O6.6 P2 Pd S2
• Title of publication: Palladium(ii) pincer complexes of a C,C,C-NHC, diphosphonium bis(ylide) ligand.
• Authors of publication: Taakili, Rachid; Lepetit, Christine; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noël; Canac, Yves
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1709 - 1721
• a: 13.6658 ± 0.0009 Å
• b: 17.1283 ± 0.001 Å
• c: 21.6507 ± 0.0013 Å
• α: 90°
• β: 91.366 ± 0.002°
• γ: 90°
• Cell volume: 5066.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.1383
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for all reflections: 0.1306
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No