Information card for entry 4516728

Structure parameters

• Formula: C17 H18 Cl3 F6 N8 P Pd
• Calculated formula: C17 H18 Cl3 F6 N8 P Pd
• Title of publication: Cross-Coupling Catalysis by an Anionic Palladium Complex
• Authors of publication: Schroeter, Felix; Soellner, Johannes; Strassner, Thomas
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 3004
• a: 6.915 ± 0.0008 Å
• b: 12.31 ± 0.0007 Å
• c: 14.954 ± 0.002 Å
• α: 82.822 ± 0.008°
• β: 83.631 ± 0.01°
• γ: 85.687 ± 0.007°
• Cell volume: 1252.7 ± 0.2 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No