Information card for entry 7007855

Structure parameters

• Chemical name: (3,5-Dimethyl-phenyl)-(bis-(diisopropyl)aminophosphanyl)- (1H-pyrrol-2-ylmethylene)-amine palladium dichloride, dichloromethane disolvate
• Formula: C27 H45 Cl6 N4 P Pd
• Calculated formula: C27 H45 Cl6 N4 P Pd
• SMILES: [Pd]1([P](n2cccc2C=[N]1c1cc(cc(c1)C)C)(N(C(C)C)C(C)C)N(C(C)C)C(C)C)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Chelating N-pyrrolylphosphino-N'-arylaldimine ligands: synthesis, ligand behaviour and applications in catalysis.
• Authors of publication: Anderson, Carly E.; Batsanov, Andrei S.; Dyer, Philip W.; Fawcett, John; Howard, Judith A. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 45
• Pages of publication: 5362 - 5378
• a: 13.742 ± 0.003 Å
• b: 17.691 ± 0.004 Å
• c: 14.077 ± 0.003 Å
• α: 90°
• β: 91.965 ± 0.004°
• γ: 90°
• Cell volume: 3420.2 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0665
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No