Information card for entry 4132777

Structure parameters

• Formula: C21 H24 N4 Pd
• Calculated formula: C21 H24 N4 Pd
• SMILES: [Pd]1([N](=Nc2[n]1c(ccc2)c1nc(ccc1)C(C)C)c1ccccc1)(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: 9.9146 ± 0.0006 Å
• b: 18.0926 ± 0.0012 Å
• c: 10.9702 ± 0.0008 Å
• α: 90°
• β: 105.158 ± 0.002°
• γ: 90°
• Cell volume: 1899.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No