Information card for entry 4076997

Structure parameters

• Formula: C27 H24 F3 O5 P Pd S
• Calculated formula: C27 H24 F3 O5 P Pd S
• SMILES: [Pd]1(c2c(C(=[O]1)C)cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[OH2].S(=O)(=O)([O-])C(F)(F)F
• 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: 10.0477 ± 0.0008 Å
• b: 11.0958 ± 0.0011 Å
• c: 12.7645 ± 0.0011 Å
• α: 93.101 ± 0.003°
• β: 107.928 ± 0.003°
• γ: 94.628 ± 0.003°
• Cell volume: 1344.9 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No