Information card for entry 7711724

Structure parameters

• Formula: C55 H41 F5 Fe N2 O2 P2 Pd S
• Calculated formula: C55 H41 F5 Fe N2 O2 P2 Pd S
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)[c]23[cH]4[Fe]56789%102([c]2([P]1(c1ccccc1)c1ccccc1)[cH]5[cH]9[cH]7[cH]62)[cH]4[cH]%10[cH]38)(N(S(=O)(=O)c1ccccc1)/N=C/C=C/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: 23.4624 ± 0.0008 Å
• b: 10.2943 ± 0.0003 Å
• c: 20.1369 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4863.6 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 9
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No