Information card for entry 4082882

Structure parameters

• Formula: C35 H34 Cl N2 P Pd
• Calculated formula: C35 H34 Cl N2 P Pd
• SMILES: [Pd]1(C(/CC=C(C)C)=N/c2c(cccc2C)C)(Cl)[n]2cccc3c2c(ccc3)[P]1(c1ccccc1)c1ccccc1
• Title of publication: Insertion of Isocyanides across the Pd‒C Bond of Phosphinoquinoline Allyl Palladium Complexes Bearing η1- and η3-Coordinated Allyl Groups. A Synthetic and Mechanistic Study
• Authors of publication: Canovese, L.; Visentin, F.; Santo, C.; Bertolasi, V.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1700
• a: 17.0798 ± 0.0002 Å
• b: 10.185 ± 0.0001 Å
• c: 18.7403 ± 0.0003 Å
• α: 90°
• β: 109.208 ± 0.0006°
• γ: 90°
• Cell volume: 3078.54 ± 0.07 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No