Information card for entry 7711726

Structure parameters

• Formula: C46 H33 F5 Fe O2 P2 Pd S
• Calculated formula: C46 H33 F5 Fe O2 P2 Pd S
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)[c]23[Fe]456789%10([c]%11([P]1(c1ccccc1)c1ccccc1)[cH]4[cH]7[cH]%10[cH]5%11)[cH]2[cH]6[cH]8[cH]39)(S(=O)(=O)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Palladium hydrazonato complexes and their role in the Pd-catalyzed cross-coupling reactions of hydrazones as carbene precursors
• Authors of publication: Villalba, Francisco; Albéniz, Ana C.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.907 ± 0.0006 Å
• b: 10.8331 ± 0.0005 Å
• c: 31.6024 ± 0.0013 Å
• α: 90°
• β: 100.506 ± 0.005°
• γ: 90°
• Cell volume: 4344.7 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No