Information card for entry 4076996

Structure parameters

• Formula: C44 H40 F3 N5 O3 Pd S
• Calculated formula: C44 H40 F3 N5 O3 Pd S
• Title of publication: Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand
• Authors of publication: Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4454
• a: 30.842 ± 0.002 Å
• b: 40.265 ± 0.003 Å
• c: 13.288 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16502 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No