Information card for entry 1564765

Structure parameters

• Formula: C56 H76 Cl8 N4 Pd2
• Calculated formula: C56 H76 Cl8 N4 Pd2
• Title of publication: Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study
• Authors of publication: Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 7171 - 7188
• a: 14.2641 ± 0.0003 Å
• b: 19.0639 ± 0.0004 Å
• c: 22.615 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6149.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No