Information card for entry 4088590

Structure parameters

• Formula: C67 H72 B Cl F15 Li N2 O3 Pd
• Calculated formula: C67 H72 B Cl F15 Li N2 O3 Pd
• Title of publication: Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides
• Authors of publication: Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1160
• a: 12.1667 ± 0.0004 Å
• b: 15.1008 ± 0.0005 Å
• c: 19.1414 ± 0.0007 Å
• α: 107.173 ± 0.003°
• β: 97.014 ± 0.003°
• γ: 100.23 ± 0.003°
• Cell volume: 3249.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No