Information card for entry 7707828

Structure parameters

• Formula: C22 H27 N5 O4 Pd
• Calculated formula: C22 H27 N5 O4 Pd
• SMILES: [Pd]12([N]3=C(N=c4n1c(=NC1OC[C@@H]([N]2=1)C(C)C)c1c4cccc1)OC[C@@H]3C(C)C)OC(=O)C
• Title of publication: Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.
• Authors of publication: Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 29
• Pages of publication: 10041 - 10049
• a: 6.6646 ± 0.0005 Å
• b: 12.2835 ± 0.001 Å
• c: 13.5762 ± 0.001 Å
• α: 90°
• β: 95.441 ± 0.002°
• γ: 90°
• Cell volume: 1106.4 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No