Information card for entry 7110445

Structure parameters

• Formula: C26 H28 F6 N2 O4 Pd2
• Calculated formula: C26 H28 F6 N2 O4 Pd2
• SMILES: [Pd]12([O]=C(C(F)(F)F)O[Pd]3([N](=C(c4c3cccc4)C)C(C)C)([O]=C(O1)C(F)(F)F))[N](=C(c1c2cccc1)C)C(C)C
• Title of publication: Highly active PdII cyclometallated imine catalysts for the Heck reaction
• Authors of publication: Ohff, Manuela; Ohff, Andreas; Milstein, David
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 4
• Pages of publication: 357
• a: 17.044 ± 0.003 Å
• b: 16.976 ± 0.003 Å
• c: 19.725 ± 0.004 Å
• α: 90°
• β: 97.75 ± 0.03°
• γ: 90°
• Cell volume: 5655.1 ± 1.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1113
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections: 0.1464
• Weighted residual factors for significantly intense reflections: 0.1068
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No