Information card for entry 1519763

Structure parameters

• Formula: C38 H32 Cl2 N2 O2 P2 Pd
• Calculated formula: C38 H32 Cl2 N2 O2 P2 Pd
• SMILES: [Pd]12([P](c3ccccc3C=[N]1O)(c1ccccc1)c1ccccc1)[P](c1c(cccc1)C=[N]2O)(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
• Title of publication: Palladium(II) complexes with a phosphino-oxime ligand: Synthesis, structure and applications to the catalytic rearrangement and dehydration of aldoximes
• Authors of publication: Menendez-Rodriguez, Lucia; Tomás-Mendivil, Eder; Francos, Javier; Najera, Carmen; Crochet, Pascale; Cadierno, Victorio
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2015
• a: 10.2329 ± 0.0006 Å
• b: 21.5082 ± 0.0012 Å
• c: 31.0365 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6830.9 ± 0.7 ų
• Cell temperature: 123.8 K
• Ambient diffraction temperature: 123.8 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No