Information card for entry 4081697

Structure parameters

• Common name: Pd-complex
• Chemical name: Pd-complex
• Formula: C54 H50 F6 N6 O13 Pd2
• Calculated formula: C54 H50 F6.006 N6 O13 Pd2
• Title of publication: Palladium(IV) Monohydrocarbyls: Mechanistic Study of the Ligand-Enabled Oxidation of Palladium(II) Complexes with H2O2in Water
• Authors of publication: Oloo, Williamson N.; Zavalij, Peter Y.; Vedernikov, Andrei N.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5601
• a: 7.5322 ± 0.001 Å
• b: 40.711 ± 0.005 Å
• c: 17.656 ± 0.002 Å
• α: 90°
• β: 96.746 ± 0.002°
• γ: 90°
• Cell volume: 5376.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No