Information card for entry 4086846

Structure parameters

• Formula: C30 H24 F10 N2 Pd
• Calculated formula: C30 H24 F10 N2 Pd
• SMILES: [Pd]1([n]2c(c3[n]1ccc(c3)C(C)(C)C)cc(cc2)C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Role of Silver Salts in Palladium-Catalyzed Arene and Heteroarene C‒H Functionalization Reactions
• Authors of publication: Lotz, Monica D.; Camasso, Nicole M.; Canty, Allan J.; Sanford, Melanie S.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 165
• a: 10.3964 ± 0.0002 Å
• b: 10.9403 ± 0.0002 Å
• c: 12.4107 ± 0.0003 Å
• α: 97.449 ± 0.001°
• β: 92.634 ± 0.001°
• γ: 97.785 ± 0.001°
• Cell volume: 1383.88 ± 0.05 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No