Information card for entry 7713124

Structure parameters

• Formula: C56 H62.5 Cl N2 Pd
• Calculated formula: C56 H62.5 Cl N2 Pd
• Title of publication: C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides
• Authors of publication: Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.978 ± 0.0002 Å
• b: 33.5142 ± 0.0007 Å
• c: 15.1164 ± 0.0003 Å
• α: 90°
• β: 92.002 ± 0.002°
• γ: 90°
• Cell volume: 5051.91 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No