Information card for entry 1549489

Structure parameters

• Formula: C10 H8 F6 O4 Pd
• Calculated formula: C10 H8 F6 O4 Pd
• SMILES: [Pd]12(OC(=CC(=[O]1)C)C(F)(F)F)OC(=CC(=[O]2)C)C(F)(F)F
• Title of publication: Ten-fold boost of catalytic performance in thiol‒yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand
• Authors of publication: Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 3073
• a: 4.7881 ± 0.0008 Å
• b: 7.9629 ± 0.0013 Å
• c: 8.7923 ± 0.0015 Å
• α: 80.994 ± 0.003°
• β: 77.33 ± 0.003°
• γ: 72.621 ± 0.003°
• Cell volume: 310.64 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No