Information card for entry 4088482

Structure parameters

• Formula: C26.5 H31 Cl F3 N3 O4 Pd S
• Calculated formula: C26.5 H31 Cl F3 N3 O4 Pd S
• SMILES: [Pd]12([n]3c(c4[n]1ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)[O]=CNc1c2cccc1.C(Cl)Cl.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis of Aryl-, Benzoyl-, and Iminobenzoyl-Palladium(II) Complexes Derived from N-Phenyl Formamide. Synthesis of a Homoleptic Ball-Shaped Tetranuclear Palladium Complex
• Authors of publication: Vicente-Hernandez, Inmaculada; Chicote, María-Teresa; Vicente, José; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1107
• a: 18.496 ± 0.002 Å
• b: 21.629 ± 0.003 Å
• c: 14.2704 ± 0.0018 Å
• α: 90°
• β: 94.758 ± 0.004°
• γ: 90°
• Cell volume: 5689.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No