Information card for entry 7108471

Structure parameters

• Formula: C24 H24 N P Pd
• Calculated formula: C24 H24 N P Pd
• SMILES: [Pd]12([P](N3[C@H]4[CH]1=[CH]2[C@@H]3c1ccccc41)(c1ccccc1)c1ccccc1)(C)C
• Title of publication: Phosphine-alkene ligand-mediated alkyl-alkyl and alkyl-halide elimination processes from palladium(II)
• Authors of publication: Luke Tuxworth; Lise Baiget; Andreas Phanopoulos; Owen J. Metters; Andrei S. Batsanov; Mark A. Fox; Judith A. K. Howard; Philip W. Dyer
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10413
• a: 10.2185 ± 0.0003 Å
• b: 10.6113 ± 0.0004 Å
• c: 19.2717 ± 0.0007 Å
• α: 90°
• β: 104.176 ± 0.014°
• γ: 90°
• Cell volume: 2026.03 ± 0.17 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No