Information card for entry 7221006

Structure parameters

• Formula: C34 H25 N2 O2 P Pd S
• Calculated formula: C34 H25 N2 O2 P Pd S
• SMILES: [Pd]12(Oc3c(C=[N]2N=C(O1)c1sccc1)c1c(cc3)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium(II) complexes containing ONO tridentate hydrazone for Suzuki- Miyaura coupling of aryl chlorides in aqueous-organic media.
• Authors of publication: Arumugam, Vignesh; Kaminsky, Werner; Bhuvanesh, Nattamai; Nallasamy, Dharmaraj
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.531 ± 0.005 Å
• b: 10.833 ± 0.003 Å
• c: 17.549 ± 0.005 Å
• α: 90°
• β: 101.774 ± 0.003°
• γ: 90°
• Cell volume: 2890.5 ± 1.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0226
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No