Information card for entry 4073098

Structure parameters

• Formula: C67 H78 B F20 N O2 P2 Pd
• Calculated formula: C67 H69 B F20 N O2 P2 Pd
• Title of publication: Reactivity Studies of Cationic Palladium(II) Phosphine Carboxylate Complexes with Lewis Bases: Substitution versus Cyclometalation
• Authors of publication: Thirupathi, Natesan; Amoroso, Dino; Bell, Andrew; Protasiewicz, John D.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3157
• a: 20.382 ± 0.004 Å
• b: 14.982 ± 0.003 Å
• c: 23.225 ± 0.005 Å
• α: 90°
• β: 106.124 ± 0.011°
• γ: 90°
• Cell volume: 6813 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1421
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No