Information card for entry 4117404

Structure parameters

• Formula: C26 H40 N4 O Pd
• Calculated formula: C26 H40 N4 O Pd
• SMILES: [Pd]1([n]2c3cccc2CN(Cc2[n]1c(ccc2)CN(C3)C(C)(C)C)C(C)(C)C)(C)CC(=O)C
• Title of publication: The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate
• Authors of publication: Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2414 - 2422
• a: 10.177 ± 0.003 Å
• b: 10.326 ± 0.003 Å
• c: 13.38 ± 0.004 Å
• α: 74.828 ± 0.016°
• β: 71.245 ± 0.013°
• γ: 83.583 ± 0.014°
• Cell volume: 1284.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1443
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No