Information card for entry 7715787

Structure parameters

• Formula: C16 H16 Cl N O Pd S
• Calculated formula: C16 H16 Cl N O Pd S
• SMILES: [Pd]12(c3cc(OC)c(cc3C=[N]2c2ccccc2[S]1C)C)Cl
• Title of publication: Reactivity of Schiff base-[C,N,S] pincer palladacycles: hydrolysis renders singular trinuclear, tetranuclear, and heteropentanuclear Pd₃W₂ coordinated complexes.
• Authors of publication: Reigosa, Francisco; Polo, Paula M.; Pereira, M. Teresa; Vila, José M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 9680 - 9691
• a: 8.134 ± 0.0002 Å
• b: 11.6466 ± 0.0003 Å
• c: 17.0711 ± 0.0004 Å
• α: 90°
• β: 101.914 ± 0.001°
• γ: 90°
• Cell volume: 1582.37 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0366
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No