Information card for entry 4132776

Structure parameters

• Formula: C18 H25 N3 Pd
• Calculated formula: C18 H25 N3 Pd
• SMILES: [Pd]1([n]2c(N=[N]1c1c(cccc1CC)CC)cccc2C)(C)C
• Title of publication: Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.
• Authors of publication: Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 36
• Pages of publication: 11408 - 11415
• a: 8.1652 ± 0.0004 Å
• b: 19.9237 ± 0.0008 Å
• c: 11.5584 ± 0.0005 Å
• α: 90°
• β: 108.914 ± 0.001°
• γ: 90°
• Cell volume: 1778.81 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0421
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No