Information card for entry 7715788

Structure parameters

• Formula: C78 H66 Cl2 N2 O22 P4 Pd3 S2 W2
• Calculated formula: C78 H66 Cl2 N2 O22 P4 Pd3 S2 W2
• 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: Vila, Jose M.; Reigosa, Francisco; Pereira, M. Teresa; Polo, Paula M.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.8665 ± 0.0013 Å
• b: 12.0797 ± 0.0014 Å
• c: 19.07 ± 0.002 Å
• α: 72.291 ± 0.007°
• β: 89.037 ± 0.007°
• γ: 78.172 ± 0.007°
• Cell volume: 2331.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No