Information card for entry 4069450

Structure parameters

• Formula: C41 H37 Cl4 N2 P Pd
• Calculated formula: C41 H37 Cl4 N2 P Pd
• SMILES: c12ccccc1C(=[N](c1c(cc(cc1C)C)C)[Pd]([N]2=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1.C(Cl)Cl
• Title of publication: Reversible Orthopalladation of Phosphinimine−Imine Dichloropalladium(II) Complexes
• Authors of publication: Wallis, Christopher J.; Kraft, Ira L.; Murphy, Jeffrey N.; Patrick, Brian O.; Mehrkhodavandi, Parisa
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3889
• a: 11.759 ± 0.002 Å
• b: 15.851 ± 0.003 Å
• c: 20.681 ± 0.004 Å
• α: 90°
• β: 96.749 ± 0.007°
• γ: 90°
• Cell volume: 3828.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No