Information card for entry 7711725

Structure parameters

• Formula: C40 H33 Cl2 F5 O2 P2 Pd S
• Calculated formula: C40 H33 Cl2 F5 O2 P2 Pd S
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(S(=O)(=O)c1ccc(cc1)C)c1c(F)c(F)c(F)c(F)c1F.ClCCl
• 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: 22.5623 ± 0.0015 Å
• b: 11.1264 ± 0.0008 Å
• c: 31.1487 ± 0.0013 Å
• α: 90°
• β: 94.857 ± 0.004°
• γ: 90°
• Cell volume: 7791.4 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1897
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No