Information card for entry 7009397

Structure parameters

• Formula: C34 H25 F3 N2 O3 Pd S
• Calculated formula: C34 H25 F3 N2 O3 Pd S
• SMILES: [Pd]123([CH2]=[CH]1C2)[n]1ccccc1c1ccc2ccccc2c1c1c2ccccc2ccc1c1cccc[n]31.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Ligand exchange and stereodynamics in the cationic palladium(II)‒π-allyl complex of 2,2'-bis(pyridyl)-1,1'-binaphthalene, a novel atropisomeric N,N-ligand
• Authors of publication: Charmant, Jonathan P. H.; Fallis, Ian A.; Hunt, Neil J.; Lloyd-Jones, Guy C.; Murray, Martin; Nowak, Thorsten
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1723
• a: 10.766 ± 0.003 Å
• b: 15.359 ± 0.004 Å
• c: 18.607 ± 0.004 Å
• α: 89.95 ± 0.02°
• β: 80.42 ± 0.02°
• γ: 85.26 ± 0.02°
• Cell volume: 3023.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No