Information card for entry 7062188

Structure parameters

• Formula: C28 H25 Cl N O P Pd
• Calculated formula: C28 H25 Cl N O P Pd
• SMILES: [Pd]12([N](=C(c3c(O2)cccc3)c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)Cl
• Title of publication: Palladium(ii)-complexes of bi- and tri-dentate phosphine ligands: precursor for palladium–phosphorous nanoparticles and activity towards Suzuki–Miyaura coupling
• Authors of publication: Rao, Gyandshwar Kumar; Dutta, Anirban; Yadav, Nisha; Oswal, Preeti; Kumar, Arun; Singh, Ajai K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 4218 - 4227
• a: 12.606 ± 0.003 Å
• b: 8.4228 ± 0.0019 Å
• c: 22.777 ± 0.005 Å
• α: 90°
• β: 96.878 ± 0.005°
• γ: 90°
• Cell volume: 2401 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9431
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No