Information card for entry 4076995

Structure parameters

• Formula: C45.5 H43.5 Cl1.5 F3 N4 O4 Pd S
• Calculated formula: C45.5 H43.5 Cl1.5 F3 N4 O4 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: 8.0966 ± 0.0006 Å
• b: 11.7951 ± 0.0008 Å
• c: 23.3677 ± 0.0014 Å
• α: 88.457 ± 0.003°
• β: 88.833 ± 0.003°
• γ: 81.515 ± 0.003°
• Cell volume: 2206.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No