Information card for entry 7707072

Structure parameters

• Formula: C20 H17 F6 N4 O P Pd
• Calculated formula: C20 H17 F6 N4 O P Pd
• Title of publication: Modulation of N^N'-bidentate chelating pyridyl-pyridylidene amide ligands offers mechanistic insights into Pd-catalysed ethylene/methyl acrylate copolymerisation.
• Authors of publication: Ó Máille, Gearóid M; Dall'Anese, Anna; Grossenbacher, Philipp; Montini, Tiziano; Milani, Barbara; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 18
• Pages of publication: 6133 - 6145
• a: 7.7659 ± 0.0001 Å
• b: 11.6599 ± 0.0001 Å
• c: 11.8575 ± 0.0001 Å
• α: 83.073 ± 0.001°
• β: 81.07 ± 0.001°
• γ: 85.135 ± 0.001°
• Cell volume: 1050.54 ± 0.019 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 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: 0.0332
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No