Information card for entry 7708836

Structure parameters

• Formula: C40 H66 N2 O4 Pd
• Calculated formula: C40 H66 N2 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: 9.9356 ± 0.0004 Å
• b: 26.4605 ± 0.0011 Å
• c: 15.5658 ± 0.0006 Å
• α: 90°
• β: 105.042 ± 0.001°
• γ: 90°
• Cell volume: 3952 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No