Information card for entry 4069449

Structure parameters

• Formula: C40 H35 N2 P
• Calculated formula: C40 H35 N2 P
• SMILES: c1(ccccc1)P(c1ccccc1)(c1ccccc1)=Nc1ccccc1C(=N\c1c(cc(cc1C)C)C)/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: 13.343 ± 0.004 Å
• b: 15.022 ± 0.004 Å
• c: 16.788 ± 0.004 Å
• α: 90°
• β: 107.07 ± 0.01°
• γ: 90°
• Cell volume: 3216.7 ± 1.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.108
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.143
• 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