Information card for entry 7708834

Structure parameters

• Formula: C42 H61 N3 O4 Pd
• Calculated formula: C42 H61 N3 O4 Pd
• Title of publication: Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts
• Authors of publication: Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 18.1718 ± 0.0008 Å
• b: 11.3807 ± 0.0004 Å
• c: 20.0056 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4137.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No