Information card for entry 4069452

Structure parameters

• Formula: C40 H34 Cl N2 P Pd
• Calculated formula: C40 H34 Cl N2 P Pd
• SMILES: c12ccccc1C(=[N](c1c(cc(cc1C)C)C)[Pd]1([N]2=P(c2c1cccc2)(c1ccccc1)c1ccccc1)Cl)c1ccccc1
• 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: 9.7151 ± 0.0008 Å
• b: 12.7851 ± 0.0011 Å
• c: 14.0233 ± 0.0011 Å
• α: 98.186 ± 0.003°
• β: 99.256 ± 0.003°
• γ: 103.113 ± 0.004°
• Cell volume: 1645.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No