Information card for entry 4111948

Structure parameters

• Formula: C37 H26 Cl2 N4 O8 Pd
• Calculated formula: C37 H26 Cl2 N4 O8 Pd
• SMILES: [Pd]12(OC(=O)c3ccc(N(=O)=O)cc3)(OC(=O)c3ccc(N(=O)=O)cc3)([n]3ccccc3c3ccccc13)[n]1ccccc1c1ccccc21.ClCCl
• Title of publication: Unusually Stable Palladium(IV) Complexes: Detailed Mechanistic Investigation of C-O Bond-Forming Reductive Elimination
• Authors of publication: Allison R. Dick; Jeff W. Kampf; Melanie S. Sanford
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12790 - 12791
• a: 11.287 ± 0.003 Å
• b: 12.574 ± 0.003 Å
• c: 12.667 ± 0.003 Å
• α: 91.95 ± 0.004°
• β: 109.062 ± 0.003°
• γ: 92.205 ± 0.004°
• Cell volume: 1695.8 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No