Information card for entry 7045637

Structure parameters

• Chemical name: [Pd(CH2CMe2C6H4)(C6H4N=CH(2-C5H4N))]
• Formula: C22 H22 N2 Pd
• Calculated formula: C22 H22 N2 Pd
• SMILES: [Pd]12([n]3c(C=[N]1c1ccccc1)cccc3)CC(C)(C)c1c2cccc1
• Title of publication: Mild and selective Pd-Ar protonolysis and C-H activation promoted by a ligand aryloxide group.
• Authors of publication: Behnia, Ava; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3538 - 3548
• a: 11.322 ± 0.004 Å
• b: 17.535 ± 0.005 Å
• c: 9.999 ± 0.002 Å
• α: 90°
• β: 112.549 ± 0.009°
• γ: 90°
• Cell volume: 1833.4 ± 0.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No