Information card for entry 4071713

Structure parameters

• Formula: C22 H28 F3 N3 O5 Pd S
• Calculated formula: C22.001 H28 F3.003 N3 O5.003 Pd S1.001
• Title of publication: New Acetonyl Palladium(II) Complexes
• Authors of publication: Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3978
• a: 14.0831 ± 0.0012 Å
• b: 11.5607 ± 0.0011 Å
• c: 16.9448 ± 0.0014 Å
• α: 90°
• β: 112.467 ± 0.004°
• γ: 90°
• Cell volume: 2549.4 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No