Information card for entry 4103326

Structure parameters

• Common name: Pd-complex
• Chemical name: Pd-complex
• Formula: C24 H39 N3 O14 Pd
• Calculated formula: C24 H39 N3 O14 Pd
• SMILES: [Pd]1234(O[C@](O)(c5[n]1cccc5)c1cc(ccc21)C)OC([O-])(c1[n]3cccc1)c1cccc[n]41.O.O.O.O.O.O.O.O.O.O
• Title of publication: Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)
• Authors of publication: Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14400 - 14402
• a: 8.4848 ± 0.0005 Å
• b: 8.6172 ± 0.0005 Å
• c: 10.4326 ± 0.0007 Å
• α: 79.5984 ± 0.0009°
• β: 88.5172 ± 0.001°
• γ: 86.6206 ± 0.0009°
• Cell volume: 748.85 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No