Information card for entry 7711727

Structure parameters

• Formula: C46 H37 F5 N2 O2 P2 Pd S
• Calculated formula: C46 H37 F5 N2 O2 P2 Pd S
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(N(S(=O)(=O)c1ccc(cc1)C)/N=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: 12.9823 ± 0.0005 Å
• b: 14.2919 ± 0.0005 Å
• c: 26.8298 ± 0.0011 Å
• α: 88.413 ± 0.003°
• β: 89.913 ± 0.003°
• γ: 73.042 ± 0.003°
• Cell volume: 4759.7 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No