Information card for entry 7108472

Structure parameters

• Formula: C44 H36 N2 P2 Pd
• Calculated formula: C44 H36 N2 P2 Pd
• SMILES: [Pd]1234([P](N5[C@H]6[CH]1=[CH]2[C@@H]5c1ccccc61)(c1ccccc1)c1ccccc1)[P](N1[C@@H]2[CH]3=[CH]4[C@H]1c1ccccc21)(c1ccccc1)c1ccccc1
• 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: 11.9327 ± 0.0006 Å
• b: 12.2787 ± 0.0006 Å
• c: 13.2937 ± 0.0006 Å
• α: 70.057 ± 0.007°
• β: 74.12 ± 0.007°
• γ: 81.517 ± 0.007°
• Cell volume: 1757.92 ± 0.17 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• 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