Information card for entry 4103322

Structure parameters

• Common name: Pd-complex
• Chemical name: Pd-complex
• Formula: C26 H25 N3 O7 Pd
• Calculated formula: C23 H18 N3 O4 Pd
• SMILES: [Pd]1234(OC(O)(c5cccc[n]15)c1cccc[n]21)OC(O)(c1ccccc31)c1cccc[n]41
• 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: 15.4911 ± 0.0007 Å
• b: 8.1017 ± 0.0004 Å
• c: 23.2701 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2920.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0695
• 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