Information card for entry 7040535

Structure parameters

• Formula: C16 H19 Cl N2 Pd
• Calculated formula: C16 H19 Cl N2 Pd
• SMILES: C[Pd]1([n]2c(C(C)=[N]1c1c(cccc1C)C)cccc2)Cl
• Title of publication: Palladium complexes with simple iminopyridines as catalysts for polyketone synthesis.
• Authors of publication: Rosar, V.; Dedeic, D.; Nobile, T.; Fini, F.; Balducci, G.; Alessio, E.; Carfagna, C.; Milani, B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14609 - 14619
• a: 7.488 ± 0.0016 Å
• b: 12.883 ± 0.0013 Å
• c: 16.337 ± 0.0014 Å
• α: 90°
• β: 100.72 ± 0.005°
• γ: 90°
• Cell volume: 1548.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No