Information card for entry 4076998

Structure parameters

• Formula: C76 H57 Br2 F3 N3 O3 P3 Pd3 S
• Calculated formula: C76 H57 Br2 F3 N3 O3 P3 Pd3 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: 10.7914 ± 0.0008 Å
• b: 24.809 ± 0.002 Å
• c: 26.892 ± 0.002 Å
• α: 90°
• β: 100.357 ± 0.003°
• γ: 90°
• Cell volume: 7082.3 ± 0.9 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 9
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No